data_2dlm_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 2dlm _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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.4 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' HD11 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 56' ' ' ALA . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.79 0.329 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 11' ' ' ARG . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 12' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NE ' HD11 ' A' ' 31' ' ' ILE . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' NE ' ' A' ' 11' ' ' ARG . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 HG12 ' C ' ' A' ' 31' ' ' ILE . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 52' ' ' GLY . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 12' ' ' LEU . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 ' N ' HD22 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.809 0.338 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.414 ' C ' HD23 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' CB ' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 32' ' ' VAL . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 26' ' ' LEU . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' ASN . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.448 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' TYR . 55.1 m-70 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 HG21 ' C ' ' A' ' 43' ' ' LEU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' C ' HG21 ' A' ' 38' ' ' VAL . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' A' ' 11' ' ' ARG . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.566 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 56' ' ' ALA . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 46' ' ' GLU . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CE2' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 43' ' ' LEU . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 32' ' ' VAL . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' HG21 ' A' ' 31' ' ' ILE . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 4.9 m120 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.582 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.496 ' OD1' ' ND2' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' CG1' ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CG2' ' OE2' ' A' ' 37' ' ' GLU . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.431 ' CG1' HD13 ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CE ' ' CD ' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 53' ' ' ILE . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' CD ' ' CE ' ' A' ' 36' ' ' LYS . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 44' ' ' GLU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.573 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 32' ' ' VAL . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 26' ' ' LEU . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' HG23 ' A' ' 53' ' ' ILE . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' CG2' ' A' ' 38' ' ' VAL . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ASN . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' GLU . 12.9 m80 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 23.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.405 ' CG1' HD22 ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 3.3 p30 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 12' ' ' LEU . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.318 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 ' N ' HD23 ' A' ' 24' ' ' LEU . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 12' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 65.17 42.74 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -136.66 119.27 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.0 -112.73 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -151.86 108.97 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -63.52 -60.42 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.18 -151.71 8.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -107.71 140.22 41.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.29 141.46 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.4 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.46 136.05 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -128.75 145.11 51.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -56.15 102.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.31 -41.74 2.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.2 mtp85 -131.37 132.89 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -132.63 141.12 48.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' HD11 ' A' ' 24' ' ' LEU . . . 174.13 -140.68 5.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HA ' ' CG2' ' A' ' 59' ' ' VAL . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 56' ' ' ALA . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t -73.12 102.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' C ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.13 164.48 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.544 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 69.8 m -126.6 156.47 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.1 159.47 13.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.78 -0.8 7.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' PRO . 88.5 p -34.59 -49.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -141.34 141.67 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -82.91 -19.85 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -127.9 112.28 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.61 158.32 23.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -73.31 123.72 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -85.67 -51.88 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -144.67 -37.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 49.4 mttp -36.68 -44.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.96 168.72 12.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' N ' ' HG2' ' A' ' 11' ' ' ARG . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -127.76 116.75 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' HIS . 27.4 t-80 -114.74 132.67 56.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' HIS . 16.2 t-80 -35.35 -38.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.47 -68.87 1.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -131.24 175.66 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -141.71 126.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . -170.32 -139.25 2.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -56.56 110.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.53 171.36 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -156.77 161.23 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.67 -158.38 7.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -27.93 26.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m -62.51 -45.62 92.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 m -94.68 106.15 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -51.8 -46.63 64.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -104.09 143.17 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.01 -99.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 58.45 37.57 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -59.77 116.06 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.17 -90.04 2.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -128.71 158.61 38.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.5 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 12' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 51' ' ' LEU . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -112.3 115.1 28.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' HIS . 14.8 t-160 -107.72 122.59 47.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 7.0 t-80 -34.44 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -77.75 -58.28 3.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 49.9 mtt-85 -131.96 166.14 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 24' ' ' LEU . 10.3 tp -141.59 143.76 33.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.36 -145.59 12.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.13 122.65 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.46 126.74 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -94.76 167.06 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.93 153.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -29.18 24.11 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -64.17 175.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -138.23 135.05 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -96.16 176.33 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -76.23 -50.07 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.78 73.97 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -70.69 -29.14 65.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -91.61 170.48 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.83 103.85 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.557 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.87 -61.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.38 136.52 33.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' NE ' HD11 ' A' ' 31' ' ' ILE . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.599 ' CD1' ' CE1' ' A' ' 47' ' ' HIS . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.604 ' CD2' ' CE1' ' A' ' 47' ' ' HIS . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD11 ' NE ' ' A' ' 11' ' ' ARG . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' CD2' ' A' ' 47' ' ' HIS . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.47 127.1 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.604 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 35.6 m170 -110.24 160.96 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 4.3 t-160 -34.06 -65.78 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.6 25.86 4.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -132.14 138.78 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -136.79 138.27 40.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.89 -129.82 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.23 114.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 62' ' ' LEU . 4.2 mm? -62.02 147.09 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -58.89 -48.11 82.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.08 152.86 6.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.64 31.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -96.99 144.19 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 m -60.06 -54.31 47.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -59.39 -53.43 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -72.51 165.19 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 -159.63 30.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -142.83 132.74 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -67.36 -45.06 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 159.01 30.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -90.3 138.4 31.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 31' ' ' ILE . . . -115.39 158.09 22.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 52' ' ' GLY . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.78 137.69 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' HIS . 48.1 t60 -132.82 136.99 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' HIS . 50.1 t-80 -36.07 -36.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.14 -67.45 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -130.86 172.58 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mp -141.81 138.36 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.77 -156.63 28.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 12' ' ' LEU . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.93 107.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -37.98 -50.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -54.56 151.56 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.13 -156.58 30.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.6 p -125.76 134.77 51.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -56.84 -58.45 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -128.61 130.95 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -127.05 161.73 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.34 -153.78 3.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -43.92 -60.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -89.36 140.83 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.14 -92.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -146.09 159.79 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.8 149.75 41.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 ' N ' HD22 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -112.91 131.38 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' CE1' ' HA3' ' A' ' 49' ' ' GLY . 3.6 t-80 -121.57 131.92 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 3.1 t-160 -35.44 -31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 47' ' ' HIS . . . -78.04 -63.98 2.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -131.9 172.53 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -142.83 136.66 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.0 -156.05 27.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.07 107.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.34 -53.12 7.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -41.19 -51.83 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.43 175.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -179.99 3.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -124.98 133.68 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 p -71.96 -47.75 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -140.39 158.01 44.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -63.85 172.1 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 167.05 19.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -71.97 120.35 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -55.01 -53.86 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 -155.27 6.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.11 166.49 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.414 ' C ' HD23 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' CB ' HD12 ' A' ' 51' ' ' LEU . 5.6 pt-20 -150.34 130.19 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -123.0 145.96 48.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -53.69 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.95 -41.01 2.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -131.83 149.59 52.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 46' ' ' GLU . 6.7 tp -149.28 140.34 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.16 -133.68 2.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' CB ' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.549 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.04 117.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.21 155.98 30.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 -60.49 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.5 146.5 4.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -28.24 25.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -119.21 140.47 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.2 m 60.35 41.79 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 p -46.99 -43.36 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -97.89 112.09 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.09 156.85 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -109.39 117.56 34.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -38.8 -46.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.98 -58.31 3.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -143.32 169.22 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.57 158.73 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 32' ' ' VAL . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 26' ' ' LEU . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -124.38 145.77 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -148.44 119.68 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.4 t60 57.28 39.7 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.56 38.26 93.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.1 mtt-85 -127.17 124.69 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER -97.24 146.47 25.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 173.17 -156.53 24.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' ASN . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.9 105.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 mt -56.51 159.47 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 p -148.64 118.96 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -37.8 146.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.05 7.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.9 p -165.75 156.85 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 t -49.97 -60.22 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.66 150.79 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -94.55 128.79 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.22 53.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -104.9 119.42 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -72.21 -45.41 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 172.34 23.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -119.26 135.99 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 122.88 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.448 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' TYR . 55.1 m-70 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 HG21 ' C ' ' A' ' 43' ' ' LEU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' C ' HG21 ' A' ' 38' ' ' VAL . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -141.43 121.33 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 t-80 -105.65 133.16 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -35.66 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -78.24 -69.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -131.0 177.06 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -135.66 148.87 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.29 -165.32 38.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.7 112.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.94 178.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 p -85.01 117.12 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.78 -156.7 22.14 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.64 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.309 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 t -119.48 149.82 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 p -48.88 -50.44 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -103.19 122.75 45.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -54.85 -58.67 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.78 -143.68 32.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -127.56 115.82 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.55 -54.98 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 69.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -82.91 -56.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.65 171.65 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' A' ' 11' ' ' ARG . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.516 HD22 ' CG ' ' A' ' 47' ' ' HIS . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -116.33 135.97 53.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CG ' HD22 ' A' ' 26' ' ' LEU . 9.0 t-80 -131.96 113.4 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 61.02 41.72 13.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.47 -36.55 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.7 tpp180 -72.05 148.16 46.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 mt -117.18 166.59 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 167.76 -149.08 13.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.566 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.83 110.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -53.9 147.8 11.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -159.64 164.81 33.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.14 -95.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' SER . 8.5 t -76.22 -54.7 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' SER . 23.1 t -38.1 -55.61 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -62.55 -45.09 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -96.95 164.68 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.1 -141.66 12.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -80.21 108.32 13.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -108.48 127.79 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.43 119.56 6.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 171.74 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.1 165.58 11.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 12' ' ' LEU . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 ' CE2' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD11 ' CB ' ' A' ' 56' ' ' ALA . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 46' ' ' GLU . 7.2 tm-20 -122.42 133.57 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -134.44 142.82 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -53.17 107.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.52 -33.37 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 20.6 mtt180 -124.66 131.28 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 1.8 tt -142.47 134.5 27.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 156.84 -164.6 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CE2' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 43' ' ' LEU . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.37 117.48 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.8 139.66 49.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -44.92 -45.54 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.19 166.55 11.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 0.22 5.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -120.13 164.15 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -67.95 -56.01 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -51.22 -45.58 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -86.19 -43.16 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 106.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -78.21 -53.24 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -78.68 161.57 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.41 -103.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -156.72 122.98 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.01 119.61 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD21 ' CA ' ' A' ' 51' ' ' LEU . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 32' ' ' VAL . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' N ' HG21 ' A' ' 31' ' ' ILE . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 4.9 m120 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.581 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -140.51 126.5 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . 14.1 t-80 -103.39 137.7 41.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' HIS . 9.7 m80 -36.3 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -88.84 -65.93 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -116.4 171.85 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -148.17 149.34 31.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' N ' HD21 ' A' ' 51' ' ' LEU . . . 169.68 -129.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.582 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' OD1' ' ND2' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.582 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t -57.39 110.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 62' ' ' LEU . 3.1 pp -151.7 153.73 34.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.3 t -145.69 148.64 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.77 -177.02 14.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.53 37.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.2 p -39.28 -49.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.3 p -79.87 177.86 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.62 167.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -156.21 167.71 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.2 158.47 31.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -94.74 -50.72 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -114.99 175.68 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 -65.46 2.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -40.44 -36.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 131.05 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD13 ' CG1' ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD21 ' CA ' ' A' ' 51' ' ' LEU . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CG2' ' OE2' ' A' ' 37' ' ' GLU . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -137.49 134.72 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.17 149.12 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -54.62 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.59 -40.49 2.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -128.04 133.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' CA ' HD21 ' A' ' 24' ' ' LEU . 2.1 pt? -149.16 138.25 21.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.87 -126.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.431 ' CG1' HD13 ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -55.97 119.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.79 174.32 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 m -124.1 152.2 43.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.71 146.06 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 122.42 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.5 p -39.03 -48.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.2 m -122.86 152.22 40.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -62.08 -53.13 59.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -97.76 126.01 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.71 -83.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -88.89 165.62 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -89.64 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.94 -142.01 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 127.0 32.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.78 127.93 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD12 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CE ' ' CD ' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 53' ' ' ILE . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' CD ' ' CE ' ' A' ' 36' ' ' LYS . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.73 152.2 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 22.3 t60 -149.48 111.98 4.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.45 38.4 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 -39.74 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -73.31 138.13 45.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mt -111.62 162.41 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 177.9 -152.51 11.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.9 131.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -70.79 -58.05 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -84.02 128.57 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 156.44 -153.55 24.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.9 Cg_endo -69.76 95.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.6 m -35.68 -52.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m 60.61 42.86 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -86.54 159.05 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -152.13 160.78 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -104.98 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -143.66 136.1 27.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -65.54 159.61 24.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 132.79 -41.72 1.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 20.6 mtpp -36.32 -43.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.01 121.86 33.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 44' ' ' GLU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.418 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -139.3 130.92 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 49' ' ' GLY . 18.1 t-80 -107.76 160.17 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 2.8 t-80 -35.8 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -144.95 -33.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -78.42 147.76 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 24' ' ' LEU . 27.1 tp -148.44 143.84 27.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 163.72 -142.31 7.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.573 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t -62.22 115.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.59 139.6 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 t -130.97 112.46 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.5 140.52 6.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -40.67 -57.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -49.05 -58.86 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -44.49 -49.79 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -132.9 168.11 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.21 -80.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -114.34 128.6 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 71.8 p -71.15 -51.86 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 34.73 -108.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.6 mmmm -34.79 -48.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.35 124.66 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 32' ' ' VAL . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 26' ' ' LEU . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' HG23 ' A' ' 53' ' ' ILE . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.22 144.31 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' HIS . 25.9 t-80 -102.69 160.8 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' HIS . 12.1 m170 -34.45 -39.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.64 -35.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -80.87 164.84 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 tp -149.41 137.22 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.44 -136.85 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' CG2' ' A' ' 38' ' ' VAL . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' ASN . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.93 122.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -71.97 115.24 10.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.87 146.25 4.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.02 2.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p -83.28 107.07 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -50.54 -55.44 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -92.72 177.77 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -136.63 130.98 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.33 105.72 2.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -43.6 -56.38 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -131.99 131.45 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.47 -174.1 49.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -150.81 122.35 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.2 146.08 25.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ILE . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 46' ' ' GLU . 12.9 m80 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 23.0 tt0 -147.82 122.14 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 48' ' ' HIS . 10.9 t-160 -102.68 160.79 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 47' ' ' HIS . 58.2 m-70 -34.41 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.79 -34.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.53 152.38 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -148.96 134.89 18.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.19 -154.4 21.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.405 ' CG1' HD22 ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -55.91 103.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' C ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.27 171.06 9.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.443 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 7.9 t -154.07 171.25 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.27 146.14 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.7 p -55.29 116.69 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -70.86 167.8 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -77.22 -62.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -99.29 171.16 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 58.5 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -39.6 -47.7 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -100.36 136.37 40.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.01 65.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.9 -22.96 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.81 153.77 45.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 47' ' ' HIS . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 47' ' ' HIS . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 143.87 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' NE2' ' CE2' ' A' ' 54' ' ' PHE . 4.8 m-70 -137.14 106.81 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.1 m170 67.51 40.21 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.31 -38.56 3.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -72.55 133.29 44.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -111.58 151.59 28.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.91 -140.48 3.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CE2' ' NE2' ' A' ' 47' ' ' HIS . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 3.3 p30 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 12' ' ' LEU . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.69 102.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' C ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -76.42 151.9 36.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 p -98.0 -42.09 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.468 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -143.5 146.18 16.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 156.34 63.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m 58.72 44.76 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 t -86.03 -60.79 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -57.82 175.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -160.94 161.82 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.63 94.63 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -109.97 177.02 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.99 130.13 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.16 -106.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.29 121.1 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.03 154.73 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' N ' HD23 ' A' ' 24' ' ' LEU . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -157.6 134.17 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.62 160.89 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -51.95 -27.53 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.18 -36.45 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -95.45 156.65 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 2.9 tt -149.61 139.0 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.5 -147.43 15.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.11 109.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.34 110.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.0 p -61.38 159.21 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.84 166.28 48.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.4 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.8 p -85.24 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 m -152.27 120.7 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -89.33 146.67 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -63.21 -56.3 17.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.83 105.41 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 -45.36 26.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -74.86 -52.38 11.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.11 -176.41 18.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -135.99 120.97 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.08 160.59 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 12' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.29 153.96 34.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -157.4 129.84 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.73 38.59 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.54 -39.22 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -72.41 130.45 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 52' ' ' GLY . 3.6 tt -109.86 139.77 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' N ' HD21 ' A' ' 51' ' ' LEU . . . -169.23 -178.17 40.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.11 125.83 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.01 122.51 27.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -54.99 -53.05 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.09 146.28 17.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -35.04 13.37 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m 61.27 43.36 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.1 m -114.46 144.79 42.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 HD21 HD13 ' A' ' 26' ' ' LEU . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 12' ' ' LEU . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' HD11 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 HD13 ' A' ' 12' ' ' LEU . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.79 0.329 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.952 HD21 HD13 ' A' ' 26' ' ' LEU . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.952 HD13 HD21 ' A' ' 12' ' ' LEU . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 12' ' ' LEU . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.927 HD13 HD21 ' A' ' 12' ' ' LEU . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 31' ' ' ILE . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' HD11 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 HG21 ' A' ' 38' ' ' VAL . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HE3' HD11 ' A' ' 53' ' ' ILE . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 HD21 ' A' ' 12' ' ' LEU . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' GLU . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 37' ' ' GLU . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 38' ' ' VAL . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.496 HD11 ' HE3' ' A' ' 22' ' ' LYS . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 25' ' ' THR . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.659 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HG11 ' A' ' 32' ' ' VAL . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.58 HG23 ' HB1' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.626 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 ' HB1' ' A' ' 9' ' ' ALA . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.426 ' O ' HD23 ' A' ' 43' ' ' LEU . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 42' ' ' TRP . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' VAL . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.809 0.338 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.559 ' N ' HD23 ' A' ' 24' ' ' LEU . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 12' ' ' LEU . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' HB1' ' A' ' 9' ' ' ALA . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' HD13 ' A' ' 43' ' ' LEU . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' C ' HD22 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG12 HD13 ' A' ' 12' ' ' LEU . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 54' ' ' PHE . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 12' ' ' LEU . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 44' ' ' GLU . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 37' ' ' GLU . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 38' ' ' VAL . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 38' ' ' VAL . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' A' ' 24' ' ' LEU . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 12' ' ' LEU . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 ' N ' HD23 ' A' ' 24' ' ' LEU . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 12' ' ' LEU . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 34' ' ' ILE . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 44' ' ' GLU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 38' ' ' VAL . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 12' ' ' LEU . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 12' ' ' LEU . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 53' ' ' ILE . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 HG21 ' A' ' 38' ' ' VAL . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 52' ' ' GLY . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 24' ' ' LEU . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 42' ' ' TRP . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CD ' ' C ' ' A' ' 46' ' ' GLU . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 12' ' ' LEU . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 12' ' ' LEU . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 9' ' ' ALA . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 44' ' ' GLU . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' OD1' ' ND2' ' A' ' 57' ' ' ASN . 6.7 m-80 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.6 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' OD1' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' ' 25' ' ' THR . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 17' ' ' GLN . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 12' ' ' LEU . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HD11 ' HZ ' ' A' ' 54' ' ' PHE . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 43' ' ' LEU . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 42' ' ' TRP . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HZ ' HD11 ' A' ' 34' ' ' ILE . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.759 HD13 HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' CG ' HG12 ' A' ' 38' ' ' VAL . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 43' ' ' LEU . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.776 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.759 HG12 HD13 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.707 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD13 HD21 ' A' ' 12' ' ' LEU . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' C ' ' A' ' 43' ' ' LEU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.417 HG22 HG21 ' A' ' 38' ' ' VAL . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 12' ' ' LEU . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.773 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 54' ' ' PHE . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 12' ' ' LEU . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HG2' HD22 ' A' ' 43' ' ' LEU . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 44' ' ' GLU . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 37' ' ' GLU . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' HG23 ' A' ' 38' ' ' VAL . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 24' ' ' LEU . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.773 ' CG1' HD13 ' A' ' 12' ' ' LEU . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 59' ' ' VAL . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' A' ' 53' ' ' ILE . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' THR . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 44' ' ' GLU . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 53' ' ' ILE . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 HD21 ' A' ' 12' ' ' LEU . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 9' ' ' ALA . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' HD22 ' A' ' 43' ' ' LEU . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD22 ' HG2' ' A' ' 37' ' ' GLU . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 HD13 ' HE3' ' A' ' 22' ' ' LYS . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.318 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 11' ' ' ARG . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' OD1' ' A' ' 39' ' ' ASP . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.619 ' OD1' HG12 ' A' ' 38' ' ' VAL . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' C ' HD22 ' A' ' 43' ' ' LEU . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.971 HD21 ' HB2' ' A' ' 56' ' ' ALA . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.971 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 12' ' ' LEU . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 44' ' ' GLU . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 65.17 42.74 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -136.66 119.27 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.0 -112.73 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -151.86 108.97 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -63.52 -60.42 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.18 -151.71 8.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -107.71 140.22 41.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.29 141.46 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD21 HD13 ' A' ' 26' ' ' LEU . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 12' ' ' LEU . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.46 136.05 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -128.75 145.11 51.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -56.15 102.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.31 -41.74 2.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.2 mtp85 -131.37 132.89 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.9 tt -132.63 141.12 48.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' HD11 ' A' ' 24' ' ' LEU . . . 174.13 -140.68 5.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 HD13 ' A' ' 12' ' ' LEU . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t -73.12 102.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -78.13 164.48 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.913 ' N ' HD22 ' A' ' 62' ' ' LEU . 69.8 m -126.6 156.47 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.1 159.47 13.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.78 -0.8 7.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' PRO . 88.5 p -34.59 -49.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -141.34 141.67 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -82.91 -19.85 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -127.9 112.28 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.61 158.32 23.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -73.31 123.72 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -85.67 -51.88 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.723 ' O ' HG13 ' A' ' 61' ' ' VAL . . . -144.67 -37.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 49.4 mttp -36.68 -44.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 31' ' ' ILE . . . -88.96 168.72 12.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.952 HD21 HD13 ' A' ' 26' ' ' LEU . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD11 ' H ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.952 HD13 HD21 ' A' ' 12' ' ' LEU . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -127.76 116.75 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' HIS . 27.4 t-80 -114.74 132.67 56.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' HIS . 16.2 t-80 -35.35 -38.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.47 -68.87 1.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -131.24 175.66 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' CA ' HD21 ' A' ' 24' ' ' LEU . 10.4 tp -141.71 126.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HD11 ' A' ' 24' ' ' LEU . . . -170.32 -139.25 2.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 12' ' ' LEU . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 7' ' ' GLY . 87.9 t -56.56 110.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.53 171.36 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -156.77 161.23 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.67 -158.38 7.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -27.93 26.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m -62.51 -45.62 92.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 m -94.68 106.15 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -51.8 -46.63 64.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -104.09 143.17 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.01 -99.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 58.45 37.57 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -59.77 116.06 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.17 -90.04 2.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -128.71 158.61 38.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.5 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.927 HD13 HD21 ' A' ' 12' ' ' LEU . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 31' ' ' ILE . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -112.3 115.1 28.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' HIS . 14.8 t-160 -107.72 122.59 47.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 7.0 t-80 -34.44 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -77.75 -58.28 3.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 49.9 mtt-85 -131.96 166.14 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' H ' ' A' ' 52' ' ' GLY . 10.3 tp -141.59 143.76 33.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.557 ' H ' HD12 ' A' ' 51' ' ' LEU . . . 157.36 -145.59 12.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 HG21 ' A' ' 38' ' ' VAL . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.13 122.65 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.46 126.74 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -94.76 167.06 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.93 153.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -29.18 24.11 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -64.17 175.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -138.23 135.05 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -96.16 176.33 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -76.23 -50.07 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.78 73.97 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -70.69 -29.14 65.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -91.61 170.48 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.83 103.85 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.557 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.87 -61.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.38 136.52 33.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HE3' HD11 ' A' ' 53' ' ' ILE . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.096 HD13 ' CE1' ' A' ' 47' ' ' HIS . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.127 HD21 ' CE1' ' A' ' 47' ' ' HIS . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' GLU . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 37' ' ' GLU . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 38' ' ' VAL . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.47 127.1 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 1.127 ' CE1' HD21 ' A' ' 26' ' ' LEU . 35.6 m170 -110.24 160.96 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 4.3 t-160 -34.06 -65.78 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.6 25.86 4.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.582 ' HB3' HD22 ' A' ' 24' ' ' LEU . 64.8 mmt-85 -132.14 138.78 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.585 ' C ' HD21 ' A' ' 24' ' ' LEU . 11.5 tp -136.79 138.27 40.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.89 -129.82 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.496 HD11 ' HE3' ' A' ' 22' ' ' LYS . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.23 114.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.02 147.09 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -58.89 -48.11 82.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.08 152.86 6.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.64 31.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -96.99 144.19 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 m -60.06 -54.31 47.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -59.39 -53.43 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -72.51 165.19 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 -159.63 30.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -142.83 132.74 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -67.36 -45.06 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 159.01 30.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -90.3 138.4 31.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -115.39 158.09 22.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 25' ' ' THR . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.659 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HG11 ' A' ' 32' ' ' VAL . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 HG23 ' HB1' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.78 137.69 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' HIS . 48.1 t60 -132.82 136.99 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' HIS . 50.1 t-80 -36.07 -36.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.14 -67.45 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.721 ' C ' HD12 ' A' ' 51' ' ' LEU . 26.8 mmt180 -130.86 172.58 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD12 ' C ' ' A' ' 50' ' ' ARG . 6.7 mp -141.81 138.36 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.77 -156.63 28.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.626 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.93 107.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -37.98 -50.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -54.56 151.56 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.13 -156.58 30.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.6 p -125.76 134.77 51.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -56.84 -58.45 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -128.61 130.95 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -127.05 161.73 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.34 -153.78 3.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -43.92 -60.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -89.36 140.83 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.14 -92.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -146.09 159.79 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -119.8 149.75 41.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 ' HB1' ' A' ' 9' ' ' ALA . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.426 ' O ' HD23 ' A' ' 43' ' ' LEU . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 42' ' ' TRP . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' VAL . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -112.91 131.38 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' GLY . 6.5 t60 -121.57 131.92 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 3.1 t-160 -35.44 -31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -78.04 -63.98 2.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -131.9 172.53 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -142.83 136.66 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.0 -156.05 27.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.07 107.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' ' 62' ' ' LEU . 8.4 mp -44.34 -53.12 7.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -41.19 -51.83 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.43 175.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -179.99 3.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -124.98 133.68 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 p -71.96 -47.75 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -140.39 158.01 44.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -63.85 172.1 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 167.05 19.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -71.97 120.35 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -55.01 -53.86 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 -155.27 6.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -122.11 166.49 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.559 ' N ' HD23 ' A' ' 24' ' ' LEU . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 12' ' ' LEU . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' HB1' ' A' ' 9' ' ' ALA . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' HD13 ' A' ' 43' ' ' LEU . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' C ' HD22 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 51' ' ' LEU . 5.6 pt-20 -150.34 130.19 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -123.0 145.96 48.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -53.69 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.95 -41.01 2.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -131.83 149.59 52.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.7 tp -149.28 140.34 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.16 -133.68 2.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG12 HD13 ' A' ' 12' ' ' LEU . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.04 117.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.21 155.98 30.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 -60.49 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.5 146.5 4.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -28.24 25.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -119.21 140.47 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.2 m 60.35 41.79 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 p -46.99 -43.36 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -97.89 112.09 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.09 156.85 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -109.39 117.56 34.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -38.8 -46.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.98 -58.31 3.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -143.32 169.22 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.57 158.73 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 54' ' ' PHE . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 12' ' ' LEU . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 44' ' ' GLU . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 37' ' ' GLU . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 38' ' ' VAL . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -124.38 145.77 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -148.44 119.68 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.4 t60 57.28 39.7 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.56 38.26 93.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.1 mtt-85 -127.17 124.69 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER -97.24 146.47 25.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.805 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 173.17 -156.53 24.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 38' ' ' VAL . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' A' ' 24' ' ' LEU . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 12' ' ' LEU . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.9 105.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 11' ' ' ARG . 12.3 mt -56.51 159.47 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 p -148.64 118.96 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -37.8 146.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.05 7.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.9 p -165.75 156.85 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 t -49.97 -60.22 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.66 150.79 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -94.55 128.79 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.22 53.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -104.9 119.42 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -72.21 -45.41 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 172.34 23.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -119.26 135.99 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 122.88 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 ' N ' HD23 ' A' ' 24' ' ' LEU . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 12' ' ' LEU . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 34' ' ' ILE . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 44' ' ' GLU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 38' ' ' VAL . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -141.43 121.33 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 t-80 -105.65 133.16 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -35.66 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -78.24 -69.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -131.0 177.06 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 51' ' ' LEU . 5.9 tt -135.66 148.87 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.29 -165.32 38.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 12' ' ' LEU . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.7 112.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.94 178.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 p -85.01 117.12 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.78 -156.7 22.14 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.64 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.309 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 t -119.48 149.82 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 p -48.88 -50.44 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -103.19 122.75 45.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -54.85 -58.67 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.78 -143.68 32.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -127.56 115.82 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.55 -54.98 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 69.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -82.91 -56.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.65 171.65 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 47' ' ' HIS . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.496 HD23 ' CG ' ' A' ' 47' ' ' HIS . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 53' ' ' ILE . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -116.33 135.97 53.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' CG ' HD23 ' A' ' 26' ' ' LEU . 37.6 t60 -131.96 113.4 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 61.02 41.72 13.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.47 -36.55 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.7 tpp180 -72.05 148.16 46.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 mt -117.18 166.59 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 167.76 -149.08 13.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 HG21 ' A' ' 38' ' ' VAL . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.83 110.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -53.9 147.8 11.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -159.64 164.81 33.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.14 -95.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' SER . 8.5 t -76.22 -54.7 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' SER . 23.1 t -38.1 -55.61 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -62.55 -45.09 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -96.95 164.68 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.1 -141.66 12.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -80.21 108.32 13.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -108.48 127.79 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.43 119.56 6.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 171.74 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.1 165.58 11.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' ' 50' ' ' ARG . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 24' ' ' LEU . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 42' ' ' TRP . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CD ' ' C ' ' A' ' 46' ' ' GLU . 7.2 tm-20 -122.42 133.57 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -134.44 142.82 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -53.17 107.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.52 -33.37 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' HB3' HD21 ' A' ' 24' ' ' LEU . 20.6 mtt180 -124.66 131.28 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 1.8 tt -142.47 134.5 27.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 24' ' ' LEU . . . 156.84 -164.6 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 12' ' ' LEU . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.37 117.48 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.8 139.66 49.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -44.92 -45.54 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.19 166.55 11.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 0.22 5.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -120.13 164.15 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -67.95 -56.01 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -51.22 -45.58 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -86.19 -43.16 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 106.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -78.21 -53.24 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -78.68 161.57 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.41 -103.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -156.72 122.98 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 31' ' ' ILE . . . -113.01 119.61 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' C ' ' A' ' 51' ' ' LEU . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 12' ' ' LEU . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 9' ' ' ALA . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 44' ' ' GLU . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' OD1' ' ND2' ' A' ' 57' ' ' ASN . 6.7 m-80 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 9.6 pt-20 -140.51 126.5 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . 14.1 t-80 -103.39 137.7 41.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' HIS . 9.7 m80 -36.3 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -88.84 -65.93 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -116.4 171.85 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.767 HD23 ' C ' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -148.17 149.34 31.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 51' ' ' LEU . . . 169.68 -129.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.6 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.492 ' ND2' ' OD1' ' A' ' 41' ' ' ASN . 0.8 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t -57.39 110.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 62' ' ' LEU . 3.1 pp -151.7 153.73 34.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.3 t -145.69 148.64 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.77 -177.02 14.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.53 37.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.2 p -39.28 -49.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.3 p -79.87 177.86 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.62 167.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -156.21 167.71 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.2 158.47 31.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -94.74 -50.72 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -114.99 175.68 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 -65.46 2.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -40.44 -36.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 131.05 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' ' 25' ' ' THR . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 51' ' ' LEU . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 17' ' ' GLN . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 12' ' ' LEU . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HD11 ' HZ ' ' A' ' 54' ' ' PHE . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 43' ' ' LEU . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 42' ' ' TRP . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -137.49 134.72 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.17 149.12 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -54.62 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.59 -40.49 2.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -128.04 133.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CA ' HD21 ' A' ' 24' ' ' LEU . 2.1 pt? -149.16 138.25 21.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.87 -126.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HZ ' HD11 ' A' ' 34' ' ' ILE . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -55.97 119.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -99.79 174.32 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 m -124.1 152.2 43.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.71 146.06 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 122.42 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.5 p -39.03 -48.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.2 m -122.86 152.22 40.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -62.08 -53.13 59.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -97.76 126.01 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.71 -83.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -88.89 165.62 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -89.64 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.94 -142.01 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 127.0 32.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.78 127.93 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD13 HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' CG ' HG12 ' A' ' 38' ' ' VAL . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 43' ' ' LEU . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.776 HD22 ' N ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.682 ' O ' HD23 ' A' ' 51' ' ' LEU . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.73 152.2 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -149.48 111.98 4.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.45 38.4 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 -39.74 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -73.31 138.13 45.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 45' ' ' GLY . 2.6 mt -111.62 162.41 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 177.9 -152.51 11.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.759 HG12 HD13 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.9 131.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -70.79 -58.05 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -84.02 128.57 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 156.44 -153.55 24.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.9 Cg_endo -69.76 95.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.6 m -35.68 -52.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m 60.61 42.86 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -86.54 159.05 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -152.13 160.78 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -104.98 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -143.66 136.1 27.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -65.54 159.61 24.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . 132.79 -41.72 1.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 20.6 mtpp -36.32 -43.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.01 121.86 33.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 62' ' ' LEU . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.707 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD13 HD21 ' A' ' 12' ' ' LEU . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' C ' ' A' ' 43' ' ' LEU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -139.3 130.92 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 49' ' ' GLY . 18.1 t-80 -107.76 160.17 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 2.8 t-80 -35.8 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -144.95 -33.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -78.42 147.76 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 24' ' ' LEU . 27.1 tp -148.44 143.84 27.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 163.72 -142.31 7.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.417 HG22 HG21 ' A' ' 38' ' ' VAL . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 12' ' ' LEU . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' HA2' ' A' ' 7' ' ' GLY . 90.1 t -62.22 115.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 11' ' ' ARG . 18.9 mt -65.59 139.6 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 t -130.97 112.46 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.5 140.52 6.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -40.67 -57.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -49.05 -58.86 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -44.49 -49.79 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -132.9 168.11 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.21 -80.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -114.34 128.6 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 71.8 p -71.15 -51.86 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 34.73 -108.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.6 mmmm -34.79 -48.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.35 124.66 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.773 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 ' CA ' ' A' ' 51' ' ' LEU . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 12' ' ' LEU . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HG2' HD22 ' A' ' 43' ' ' LEU . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 44' ' ' GLU . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 37' ' ' GLU . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' HG23 ' A' ' 38' ' ' VAL . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.22 144.31 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' HIS . 25.9 t-80 -102.69 160.8 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' HIS . 12.1 m170 -34.45 -39.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.64 -35.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -80.87 164.84 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CA ' HD21 ' A' ' 24' ' ' LEU . 9.2 tp -149.41 137.22 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 24' ' ' LEU . . . 164.44 -136.85 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 24' ' ' LEU . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.773 ' CG1' HD13 ' A' ' 12' ' ' LEU . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.93 122.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -71.97 115.24 10.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.87 146.25 4.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.02 2.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p -83.28 107.07 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -50.54 -55.44 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -92.72 177.77 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -136.63 130.98 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.33 105.72 2.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -43.6 -56.38 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -131.99 131.45 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.47 -174.1 49.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -150.81 122.35 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.2 146.08 25.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 59' ' ' VAL . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' A' ' 53' ' ' ILE . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' THR . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 44' ' ' GLU . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -147.82 122.14 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' HIS . 4.2 t60 -102.68 160.79 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' HIS . 58.2 m-70 -34.41 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.79 -34.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.53 152.38 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -148.96 134.89 18.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.19 -154.4 21.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -55.91 103.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.27 171.06 9.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.723 ' N ' HD22 ' A' ' 62' ' ' LEU . 7.9 t -154.07 171.25 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.27 146.14 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.7 p -55.29 116.69 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -70.86 167.8 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -77.22 -62.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -99.29 171.16 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 58.5 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -39.6 -47.7 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -100.36 136.37 40.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.01 65.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.9 -22.96 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -140.81 153.77 45.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 53' ' ' ILE . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 47' ' ' HIS . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.641 HD21 ' CD2' ' A' ' 47' ' ' HIS . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 9' ' ' ALA . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.545 ' HB ' ' CE1' ' A' ' 47' ' ' HIS . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' HD22 ' A' ' 43' ' ' LEU . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD22 ' HG2' ' A' ' 37' ' ' GLU . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 143.87 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' CD2' HD21 ' A' ' 26' ' ' LEU . 4.8 m-70 -137.14 106.81 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.1 m170 67.51 40.21 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.31 -38.56 3.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -72.55 133.29 44.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -111.58 151.59 28.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.91 -140.48 3.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 HD13 ' HE3' ' A' ' 22' ' ' LYS . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' NE2' ' A' ' 47' ' ' HIS . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.69 102.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -76.42 151.9 36.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.759 ' N ' HD22 ' A' ' 62' ' ' LEU . 2.5 p -98.0 -42.09 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' N ' ' CD2' ' A' ' 62' ' ' LEU . . . -143.5 146.18 16.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 156.34 63.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m 58.72 44.76 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 t -86.03 -60.79 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -57.82 175.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -160.94 161.82 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.63 94.63 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -109.97 177.02 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.99 130.13 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.16 -106.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.29 121.1 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.03 154.73 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.474 HH12 HD21 ' A' ' 62' ' ' LEU . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' OD1' ' A' ' 39' ' ' ASP . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' OD1' HG12 ' A' ' 38' ' ' VAL . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' C ' HD22 ' A' ' 43' ' ' LEU . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.971 HD21 ' HB2' ' A' ' 56' ' ' ALA . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -157.6 134.17 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.62 160.89 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -51.95 -27.53 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.18 -36.45 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -95.45 156.65 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.9 tt -149.61 139.0 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.5 -147.43 15.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.971 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.11 109.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 HH12 ' A' ' 11' ' ' ARG . 24.9 mt -61.34 110.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.0 p -61.38 159.21 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.84 166.28 48.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.4 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.8 p -85.24 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 m -152.27 120.7 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -89.33 146.67 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -63.21 -56.3 17.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.83 105.41 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 -45.36 26.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -74.86 -52.38 11.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.11 -176.41 18.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -135.99 120.97 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.08 160.59 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 12' ' ' LEU . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 44' ' ' GLU . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.29 153.96 34.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -157.4 129.84 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.73 38.59 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.54 -39.22 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -72.41 130.45 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.6 tt -109.86 139.77 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -169.23 -178.17 40.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.11 125.83 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.01 122.51 27.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -54.99 -53.05 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.09 146.28 17.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -35.04 13.37 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m 61.27 43.36 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.1 m -114.46 144.79 42.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 HD21 HD13 ' A' ' 26' ' ' LEU . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 12' ' ' LEU . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' HD11 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 HD13 ' A' ' 12' ' ' LEU . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.79 0.329 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.952 HD21 HD13 ' A' ' 26' ' ' LEU . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.952 HD13 HD21 ' A' ' 12' ' ' LEU . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 12' ' ' LEU . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.748 0.308 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.927 HD13 HD21 ' A' ' 12' ' ' LEU . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' HD11 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 HG21 ' A' ' 38' ' ' VAL . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HE3' HD11 ' A' ' 53' ' ' ILE . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 HD21 ' A' ' 12' ' ' LEU . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' GLU . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 37' ' ' GLU . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 38' ' ' VAL . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.496 HD11 ' HE3' ' A' ' 22' ' ' LYS . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 25' ' ' THR . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.659 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HG11 ' A' ' 32' ' ' VAL . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.58 HG23 ' HB1' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.626 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.338 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 ' HB1' ' A' ' 9' ' ' ALA . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.426 ' O ' HD23 ' A' ' 43' ' ' LEU . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 42' ' ' TRP . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' VAL . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.809 0.338 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.559 ' N ' HD23 ' A' ' 24' ' ' LEU . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 12' ' ' LEU . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' HB1' ' A' ' 9' ' ' ALA . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' HD13 ' A' ' 43' ' ' LEU . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' C ' HD22 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG12 HD13 ' A' ' 12' ' ' LEU . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.778 0.323 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 54' ' ' PHE . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 12' ' ' LEU . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 44' ' ' GLU . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 37' ' ' GLU . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 38' ' ' VAL . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 38' ' ' VAL . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' A' ' 24' ' ' LEU . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 12' ' ' LEU . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 ' N ' HD23 ' A' ' 24' ' ' LEU . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 12' ' ' LEU . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.448 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 34' ' ' ILE . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' TYR . 55.1 m-70 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 44' ' ' GLU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 38' ' ' VAL . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.426 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 12' ' ' LEU . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD13 HD21 ' A' ' 12' ' ' LEU . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 53' ' ' ILE . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 HG21 ' A' ' 38' ' ' VAL . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 52' ' ' GLY . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 24' ' ' LEU . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 42' ' ' TRP . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 46' ' ' GLU . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 12' ' ' LEU . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 31' ' ' ILE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.559 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 12' ' ' LEU . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 9' ' ' ALA . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 44' ' ' GLU . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 4.9 m120 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.6 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.496 ' OD1' ' ND2' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' ' 25' ' ' THR . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 17' ' ' GLN . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 12' ' ' LEU . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HD11 ' HZ ' ' A' ' 54' ' ' PHE . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 43' ' ' LEU . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 42' ' ' TRP . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HZ ' HD11 ' A' ' 34' ' ' ILE . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.759 HD13 HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' CG ' HG12 ' A' ' 38' ' ' VAL . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 43' ' ' LEU . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.759 HG12 HD13 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.707 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD13 HD21 ' A' ' 12' ' ' LEU . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' C ' ' A' ' 43' ' ' LEU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.417 HG22 HG21 ' A' ' 38' ' ' VAL . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 12' ' ' LEU . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.773 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD12 ' HD1' ' A' ' 54' ' ' PHE . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 12' ' ' LEU . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HG2' HD22 ' A' ' 43' ' ' LEU . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 44' ' ' GLU . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 37' ' ' GLU . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' HG23 ' A' ' 38' ' ' VAL . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 24' ' ' LEU . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.773 ' CG1' HD13 ' A' ' 12' ' ' LEU . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 59' ' ' VAL . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' A' ' 53' ' ' ILE . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' THR . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 46' ' ' GLU . 12.9 m80 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 44' ' ' GLU . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 23.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 53' ' ' ILE . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD13 HD21 ' A' ' 12' ' ' LEU . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 9' ' ' ALA . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' HD22 ' A' ' 43' ' ' LEU . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD22 ' HG2' ' A' ' 37' ' ' GLU . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 HD13 ' HE3' ' A' ' 22' ' ' LYS . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 3.3 p30 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.318 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' OD1' ' A' ' 39' ' ' ASP . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.619 ' OD1' HG12 ' A' ' 38' ' ' VAL . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' C ' HD22 ' A' ' 43' ' ' LEU . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.971 HD21 ' HB2' ' A' ' 56' ' ' ALA . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.971 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.308 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 12' ' ' LEU . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 44' ' ' GLU . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 65.17 42.74 3.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -136.66 119.27 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.0 -112.73 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -151.86 108.97 3.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -63.52 -60.42 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.18 -151.71 8.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -107.71 140.22 41.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.29 141.46 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.13 133.88 46.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -97.28 129.37 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD21 HD13 ' A' ' 26' ' ' LEU . 4.6 mm? -60.91 123.94 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.6 mtpt -54.63 -35.94 63.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 62.3 m-85 -161.33 174.32 13.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.431 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -63.34 113.08 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -96.6 141.98 29.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -121.04 109.5 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.89 119.96 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -84.86 -33.42 22.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -94.92 158.32 35.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.97 26.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -73.55 -40.07 64.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.05 176.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 12.5 mt -126.58 139.03 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.8 m -94.44 122.47 37.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD13 HD21 ' A' ' 12' ' ' LEU . 5.0 mt -132.34 152.15 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -102.89 153.93 19.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 79.9 tttt -52.88 118.27 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.33 51.83 1.81 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.67 156.25 41.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.1 mm -114.22 124.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 m -127.69 151.34 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -105.57 127.51 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.9 mp -92.13 117.04 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -80.49 -58.06 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -141.64 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -89.5 127.6 35.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.44 -67.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.6 t70 -131.19 173.5 10.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -55.57 -34.64 64.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -117.59 13.67 14.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 98.2 m95 -130.42 150.37 51.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' HB2' ' A' ' 56' ' ' ALA . 13.7 mt -143.43 153.56 42.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -99.1 145.86 26.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -160.82 149.67 18.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -120.46 136.05 54.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -128.75 145.11 51.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -56.15 102.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.31 -41.74 2.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 19.2 mtp85 -131.37 132.89 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.9 tt -132.63 141.12 48.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' HD11 ' A' ' 24' ' ' LEU . . . 174.13 -140.68 5.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.0 pt -131.21 164.85 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -152.87 157.73 33.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 138.16 37.02 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HB2' ' HG ' ' A' ' 43' ' ' LEU . . . -76.77 -7.25 55.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -35.83 31.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.78 12.05 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 HD13 ' A' ' 12' ' ' LEU . 22.4 m -141.09 139.68 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -137.05 140.43 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.8 t -73.12 102.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.913 HD22 ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -78.13 164.48 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.913 ' N ' HD22 ' A' ' 62' ' ' LEU . 69.8 m -126.6 156.47 40.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.1 159.47 13.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.78 -0.8 7.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 65' ' ' PRO . 88.5 p -34.59 -49.25 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 t -141.34 141.67 33.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -82.91 -19.85 36.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.832 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -127.9 112.28 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.61 158.32 23.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m -73.31 123.72 24.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.6 m -85.67 -51.88 6.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.723 ' O ' HG13 ' A' ' 61' ' ' VAL . . . -144.67 -37.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 49.4 mttp -36.68 -44.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 0.0 110.855 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CG2' ' A' ' 31' ' ' ILE . . . -88.96 168.72 12.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.38 138.5 29.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 20.5 ttm180 -96.05 153.34 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.952 HD21 HD13 ' A' ' 26' ' ' LEU . 4.2 mm? -83.08 106.26 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpp -47.63 -26.86 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.6 m-85 -160.91 175.27 12.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -71.33 128.08 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 17' ' ' GLN . 50.7 t80 -109.25 162.46 14.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' CG ' ' A' ' 16' ' ' PHE . 3.9 tt0 -141.91 108.4 5.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -61.15 120.23 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.44 -38.45 41.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -103.7 159.32 29.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 0.11 6.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -103.62 -20.17 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.587 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 11.0 mt-10 -75.58 176.81 7.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD11 ' H ' ' A' ' 52' ' ' GLY . 13.9 mt -118.19 141.14 48.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.8 m -100.7 117.73 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.952 HD13 HD21 ' A' ' 12' ' ' LEU . 7.0 mt -127.5 149.73 49.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -101.82 155.14 18.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -52.93 111.28 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.64 39.92 2.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 11.8 t70 -119.66 123.43 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.7 mp -97.16 119.25 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.8 m -108.94 174.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -118.48 117.34 28.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -73.66 112.41 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -94.03 -54.83 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 6.4 ptmt -130.3 169.98 14.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -110.36 108.43 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.74 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -133.22 174.66 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -49.84 -35.31 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 7.1 m-20 -113.5 -33.14 5.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -78.79 144.17 35.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -133.73 162.7 31.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 16.4 tm-20 -105.41 156.79 17.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.06 155.27 26.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -127.76 116.75 20.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' HIS . 27.4 t-80 -114.74 132.67 56.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' HIS . 16.2 t-80 -35.35 -38.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.47 -68.87 1.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -131.24 175.66 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' CA ' HD21 ' A' ' 24' ' ' LEU . 10.4 tp -141.71 126.84 18.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' H ' HD11 ' A' ' 24' ' ' LEU . . . -170.32 -139.25 2.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 pt -123.02 160.6 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -157.0 152.45 22.07 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.655 0.741 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.98 43.86 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -89.09 -52.25 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 m-85 -38.02 -34.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 12' ' ' LEU . 34.6 m -118.97 172.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -154.61 132.6 11.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 7' ' ' GLY . 87.9 t -56.56 110.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.53 171.36 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.5 p -156.77 161.23 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -146.67 -158.38 7.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -27.93 26.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.37 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m -62.51 -45.62 92.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 m -94.68 106.15 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -51.8 -46.63 64.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -104.09 143.17 33.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.796 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.01 -99.12 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 m 58.45 37.57 25.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -59.77 116.06 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.17 -90.04 2.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -128.71 158.61 38.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.5 40.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.69 125.81 46.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -93.11 141.69 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -62.9 106.34 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 25.3 mtpt -43.66 -32.29 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 86.8 m-85 -161.31 174.28 13.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 18.4 t80 -100.39 148.83 24.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -131.27 117.28 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.75 128.59 35.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -86.04 -26.45 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 p -106.94 151.28 40.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -0.84 7.52 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.375 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -100.77 -35.99 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.83 171.32 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' ' 52' ' ' GLY . 12.7 mt -106.8 142.36 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.9 m -107.64 123.18 48.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.927 HD13 HD21 ' A' ' 12' ' ' LEU . 6.3 mt -132.19 166.98 20.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -117.56 169.14 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -64.53 118.06 8.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.19 52.41 1.48 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . 3.3 t0 -140.81 128.98 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.5 mp -99.08 135.61 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -123.1 160.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -102.43 122.63 44.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.0 mt -95.08 107.37 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -86.41 -49.47 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -138.43 170.26 16.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -104.24 124.93 50.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 46.3 t -75.27 -64.87 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -128.01 174.99 8.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -49.5 -31.33 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -116.74 -31.11 5.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -80.07 142.74 34.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.2 160.49 30.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 9.0 tm-20 -114.85 150.05 36.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.32 151.0 16.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -112.3 115.1 28.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.923 0.392 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' HIS . 14.8 t-160 -107.72 122.59 47.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 7.0 t-80 -34.44 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -77.75 -58.28 3.31 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 49.9 mtt-85 -131.96 166.14 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' H ' ' A' ' 52' ' ' GLY . 10.3 tp -141.59 143.76 33.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.557 ' H ' HD12 ' A' ' 51' ' ' LEU . . . 157.36 -145.59 12.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.41 HG22 HG21 ' A' ' 38' ' ' VAL . 30.2 pt -114.6 155.72 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -157.24 154.78 26.65 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.89 40.39 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 59' ' ' VAL . . . -92.07 -48.24 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.073 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' VAL . 4.3 t30 -46.16 -56.01 6.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CE2' ' CD1' ' A' ' 16' ' ' PHE . 19.4 m-85 -41.56 -24.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 56' ' ' ALA . 28.7 m -118.9 141.35 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.15 127.69 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.13 122.65 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.9 mt -82.46 126.74 32.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.2 t -94.76 167.06 11.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.93 153.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -29.18 24.11 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -64.17 175.02 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -138.23 135.05 35.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -96.16 176.33 6.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -76.23 -50.07 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.78 73.97 0.33 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.9 p -70.69 -29.14 65.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -91.61 170.48 9.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.83 103.85 3.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.557 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -88.87 -61.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.38 136.52 33.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -145.38 131.34 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -100.71 145.66 28.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -70.61 110.85 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 13.4 mtpt -51.26 -23.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 55.5 m-85 -161.73 166.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 110.14 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -90.04 143.32 26.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -124.04 115.05 20.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -74.72 109.79 8.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -66.92 -35.81 80.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -106.3 160.55 25.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.705 0.764 . . . . 0.0 110.823 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -14.34 35.75 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.496 ' HE3' HD11 ' A' ' 53' ' ' ILE . 29.6 pttt -82.04 -34.08 29.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 5.6 mt-10 -71.23 175.41 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.096 HD13 ' CE1' ' A' ' 47' ' ' HIS . 12.7 mt -116.94 140.33 49.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.6 m -102.68 113.0 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.127 HD21 ' CE1' ' A' ' 47' ' ' HIS . 18.7 mt -121.25 140.81 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -78.3 161.66 27.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -59.39 124.72 20.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.76 56.76 3.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.3 t70 -125.33 128.4 48.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.288 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.49 139.88 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 m -139.91 170.61 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -119.13 119.67 34.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.5 mp -81.41 104.5 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -91.44 -49.39 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 tttt -116.41 156.51 26.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -116.91 107.36 14.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HB2' ' A' ' 44' ' ' GLU . 62.1 t -68.79 -65.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.78 174.36 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -49.12 -43.61 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -98.78 -37.46 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -80.0 140.17 36.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 37' ' ' GLU . 34.2 mt -136.22 148.25 47.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.536 ' HB2' HG23 ' A' ' 38' ' ' VAL . 11.8 tt0 -108.87 153.24 23.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.54 -167.39 27.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.47 127.1 36.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 1.127 ' CE1' HD21 ' A' ' 26' ' ' LEU . 35.6 m170 -110.24 160.96 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' HIS . 4.3 t-160 -34.06 -65.78 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.6 25.86 4.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.582 ' HB3' HD22 ' A' ' 24' ' ' LEU . 64.8 mmt-85 -132.14 138.78 48.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.585 ' C ' HD21 ' A' ' 24' ' ' LEU . 11.5 tp -136.79 138.27 40.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.89 -129.82 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.496 HD11 ' HE3' ' A' ' 22' ' ' LYS . 29.6 pt -140.88 159.51 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -156.15 154.19 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.19 68.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -83.39 -54.19 5.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.2 p-10 -42.54 -55.34 3.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.5 m-85 -36.8 -34.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 12' ' ' LEU . 35.9 m -118.87 131.76 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.93 145.39 41.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.23 114.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.02 147.09 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.1 p -58.89 -48.11 82.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.08 152.86 6.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.64 31.22 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -96.99 144.19 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 m -60.06 -54.31 47.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -59.39 -53.43 58.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -72.51 165.19 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.82 -159.63 30.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 t -142.83 132.74 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -67.36 -45.06 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 159.01 30.02 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -90.3 138.4 31.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -115.39 158.09 22.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.626 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -136.94 125.49 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -86.56 153.21 21.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD22 HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -86.1 113.7 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.497 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 24.2 mmmt -58.32 -26.92 63.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 54.1 m-85 -160.04 156.36 26.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.89 143.36 37.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -127.48 107.71 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -92.48 122.32 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -101.14 117.07 34.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -79.65 -26.48 41.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -99.59 159.4 30.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.709 0.766 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -58.51 -40.74 83.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 22.8 mt-10 -63.05 150.34 42.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.659 HD23 ' N ' ' A' ' 25' ' ' THR . 1.5 tt -94.08 136.23 34.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.659 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.8 m -90.93 110.74 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' CD2' HG11 ' A' ' 32' ' ' VAL . 4.9 mt -125.08 159.47 31.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -124.26 173.0 8.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -68.14 115.98 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.85 43.67 4.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -118.71 152.1 36.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 HG23 ' HB1' ' A' ' 9' ' ' ALA . 8.3 mm -110.37 144.17 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG11 ' CD2' ' A' ' 26' ' ' LEU . 19.5 m -148.05 170.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -122.89 132.94 54.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.63 107.95 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -83.31 -57.11 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -122.8 177.4 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -115.13 105.55 13.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 42.6 t -61.9 -64.5 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.412 ' OD2' ' CD1' ' A' ' 42' ' ' TRP . 5.2 m-20 -134.44 177.97 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.93 63.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -110.55 -21.74 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CD1' ' OD2' ' A' ' 39' ' ' ASP . 97.8 m95 -91.14 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.61 142.91 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 7.5 tt0 -96.5 145.02 26.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.78 20.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -125.78 137.69 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' HIS . 48.1 t60 -132.82 136.99 46.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' HIS . 50.1 t-80 -36.07 -36.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.14 -67.45 1.91 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.721 ' C ' HD12 ' A' ' 51' ' ' LEU . 26.8 mmt180 -130.86 172.58 11.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD12 ' C ' ' A' ' 50' ' ' ARG . 6.7 mp -141.81 138.36 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 163.77 -156.63 28.56 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.4 pt -110.3 156.42 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -157.34 155.22 27.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.75 167.06 25.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.382 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -87.18 -58.1 2.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -39.05 -43.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -48.7 -43.36 37.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.626 ' HB ' ' HB1' ' A' ' 10' ' ' ALA . 36.0 m -118.64 131.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.86 124.05 46.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.6 t -55.93 107.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.1 mt -37.98 -50.59 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 m -54.56 151.56 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.13 -156.58 30.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.6 p -125.76 134.77 51.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -56.84 -58.45 8.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -128.61 130.95 48.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -127.05 161.73 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.34 -153.78 3.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -43.92 -60.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -89.36 140.83 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.14 -92.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -146.09 159.79 42.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -119.8 149.75 41.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.82 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -92.81 152.28 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.803 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -80.01 111.26 16.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 1.5 mmmm -46.6 -32.14 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.12 174.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.37 120.52 14.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -103.71 109.57 21.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -91.27 118.04 30.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -93.49 116.73 29.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -78.41 -33.27 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 p -94.8 155.3 39.42 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.675 0.75 . . . . 0.0 110.828 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.25 11.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -63.58 -34.38 77.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 28.1 mt-10 -64.64 167.0 7.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 25' ' ' THR . 1.3 tt -107.43 133.98 51.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.626 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.7 m -92.21 111.03 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.58 164.66 17.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -131.13 167.95 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -63.84 115.04 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 51.17 2.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.01 132.77 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 ' HB1' ' A' ' 9' ' ' ALA . 21.9 mm -92.58 146.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.6 m -146.69 157.05 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -113.55 122.35 46.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.6 mm -82.65 112.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -88.63 -51.83 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -136.26 170.79 15.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 9.6 mt-10 -107.53 115.04 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.2 t -69.13 -67.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.4 177.98 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -53.06 -37.31 61.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -112.75 -26.83 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.426 ' O ' HD23 ' A' ' 43' ' ' LEU . 96.0 m95 -84.85 139.47 31.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 42' ' ' TRP . 26.1 mt -126.49 176.78 6.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HB2' HG23 ' A' ' 38' ' ' VAL . 5.2 tm-20 -127.98 159.17 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.54 143.31 4.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -112.91 131.38 55.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.493 ' CE1' ' HA3' ' A' ' 49' ' ' GLY . 3.6 t-80 -121.57 131.92 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 3.1 t-160 -35.44 -31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' HA3' ' CE1' ' A' ' 47' ' ' HIS . . . -78.04 -63.98 2.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -131.9 172.53 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -142.83 136.66 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.436 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 169.0 -156.05 27.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 pt -110.55 148.04 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -151.51 153.63 32.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.653 0.739 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.8 166.05 28.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.43 -57.85 2.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -38.44 -41.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.3 m-85 -51.0 -44.45 60.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.803 HG12 ' HA ' ' A' ' 12' ' ' LEU . 18.4 m -118.89 131.58 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -122.23 143.53 49.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.07 107.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' ' 62' ' ' LEU . 8.4 mp -44.34 -53.12 7.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -41.19 -51.83 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.43 175.67 1.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -179.99 3.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -124.98 133.68 52.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 p -71.96 -47.75 49.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -140.39 158.01 44.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -63.85 172.1 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.48 167.05 19.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -71.97 120.35 17.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -55.01 -53.86 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.72 -155.27 6.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.7 149.87 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -122.11 166.49 14.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.07 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.09 127.5 16.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -90.97 124.65 35.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.79 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -53.3 119.12 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 23.3 mtpp -51.17 -35.48 36.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.7 m-85 -158.83 173.57 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.39 113.06 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -101.11 127.13 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -110.92 105.41 14.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.544 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -82.57 128.1 33.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -95.71 -31.05 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 m -89.22 155.88 48.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -23.78 30.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -76.5 -35.91 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -67.08 175.44 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 25' ' ' THR . 1.0 OUTLIER -126.02 130.73 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.559 ' N ' HD23 ' A' ' 24' ' ' LEU . 95.4 m -86.36 116.02 24.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.79 HD13 HD21 ' A' ' 12' ' ' LEU . 11.9 mt -133.1 145.85 51.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -99.39 154.46 18.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -53.55 127.5 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.04 52.33 4.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -128.0 141.06 51.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 HG23 ' HB1' ' A' ' 9' ' ' ALA . 46.9 mm -97.45 135.78 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.93 148.87 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -100.94 114.79 28.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -81.68 104.24 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -79.11 -39.71 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 0.1 OUTLIER -145.49 175.46 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' HD13 ' A' ' 43' ' ' LEU . 15.8 tt0 -121.62 117.07 25.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -66.35 -67.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -128.66 164.55 22.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -44.56 -22.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 24.9 m-20 -117.93 -37.48 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' C ' HD22 ' A' ' 43' ' ' LEU . 98.9 m95 -80.28 129.59 34.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.811 HD21 ' HB2' ' A' ' 56' ' ' ALA . 0.9 OUTLIER -106.21 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 36' ' ' LYS . 34.4 tt0 -145.55 134.1 22.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -161.55 -172.42 28.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.516 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' HB3' HD13 ' A' ' 51' ' ' LEU . 5.6 pt-20 -150.34 130.19 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -123.0 145.96 48.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -53.69 101.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 118.95 -41.01 2.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -131.83 149.59 52.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 45' ' ' GLY . 6.7 tp -149.28 140.34 22.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.16 -133.68 2.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 25.7 pt -136.82 163.73 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -156.22 146.36 15.79 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.639 0.733 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.577 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 158.15 57.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.736 2.29 . . . . 0.0 112.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.811 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -81.44 -33.83 31.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -60.71 -15.3 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.577 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 29.4 m-85 -96.67 -0.55 48.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG12 HD13 ' A' ' 12' ' ' LEU . 14.8 m -139.38 168.37 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -153.56 121.84 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -62.04 117.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.057 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.9 mt -64.21 155.98 30.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 t -82.74 -60.49 2.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.5 146.5 4.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -28.24 25.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.3 p -119.21 140.47 50.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.2 m 60.35 41.79 15.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 p -46.99 -43.36 19.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 p -97.89 112.09 24.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.09 156.85 4.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -109.39 117.56 34.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -38.8 -46.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.98 -58.31 3.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -143.32 169.22 18.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.57 158.73 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.49 143.35 41.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 62' ' ' LEU . 15.6 ttm180 -106.33 144.83 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.748 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.5 mm? -77.68 109.08 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.3 mtpm? -45.29 -30.11 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 94.1 m-85 -160.97 177.07 10.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.58 112.97 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -97.56 140.62 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -125.14 109.72 13.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -57.5 121.29 9.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -73.17 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -107.03 161.31 23.33 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.677 0.751 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.38 4.47 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.683 2.256 . . . . 0.0 112.385 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -102.27 -27.85 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 25.2 mt-10 -73.2 176.82 5.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 54' ' ' PHE . 17.5 mt -109.97 145.56 36.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -111.29 107.84 17.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 12' ' ' LEU . 6.0 mt -123.89 165.52 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -111.13 172.42 6.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -66.64 125.6 26.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.61 43.3 8.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.14 147.49 40.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.4 mm -106.55 130.29 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -126.34 154.91 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 119.22 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.3 mt -92.58 110.76 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -85.25 -51.18 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -142.96 149.11 37.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.9 mt-10 -87.14 118.49 26.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 44' ' ' GLU . 61.1 t -67.12 -66.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -121.96 177.76 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -54.02 -31.51 51.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.6 m120 -115.04 -35.38 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -78.66 140.97 38.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' A' ' 37' ' ' GLU . 37.1 mt -127.64 163.68 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 38' ' ' VAL . 12.6 tt0 -117.88 142.63 47.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.56 170.43 39.7 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -124.38 145.77 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -148.44 119.68 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.4 t60 57.28 39.7 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.56 38.26 93.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.532 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.1 mtt-85 -127.17 124.69 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD13 ' N ' ' A' ' 52' ' ' GLY . 0.4 OUTLIER -97.24 146.47 25.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.805 ' N ' HD13 ' A' ' 51' ' ' LEU . . . 173.17 -156.53 24.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.521 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 38' ' ' VAL . 18.1 pt -139.68 158.14 27.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' A' ' 24' ' ' LEU . 24.1 p90 -157.09 153.82 24.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.645 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.74 148.45 65.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -76.0 -54.74 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.4 p30 -41.48 -56.51 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.645 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 11.5 m-85 -34.53 -35.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.748 HG12 ' HA ' ' A' ' 12' ' ' LEU . 25.9 m -118.98 135.41 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.16 129.27 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.9 105.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 11' ' ' ARG . 12.3 mt -56.51 159.47 3.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.8 p -148.64 118.96 7.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -37.8 146.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.05 7.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.9 p -165.75 156.85 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 t -49.97 -60.22 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.66 150.79 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -94.55 128.79 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.22 53.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -104.9 119.42 38.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.829 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -72.21 -45.41 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.97 172.34 23.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -119.26 135.99 54.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.26 122.88 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -133.66 125.23 28.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -92.25 137.81 32.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -70.67 105.5 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.0 mmmt -47.13 -23.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 45.6 m-85 -159.59 170.91 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -71.36 126.39 29.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.87 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.36 114.62 26.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -92.49 118.48 31.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -80.66 -31.24 36.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 m -96.91 154.94 38.1 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -34.09 15.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -64.82 -32.12 73.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 21.1 mt-10 -69.06 158.07 35.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 25' ' ' THR . 1.6 tt -99.26 125.11 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 ' N ' HD23 ' A' ' 24' ' ' LEU . 26.7 m -82.29 112.53 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 12' ' ' LEU . 4.8 mt -121.72 166.56 14.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -134.22 170.59 15.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -64.11 103.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.15 50.05 0.84 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -126.44 128.75 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.6 mp -109.24 135.9 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.88 161.45 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.448 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 36.9 m-85 -107.76 112.16 24.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 34' ' ' ILE . 5.2 mp -69.44 109.82 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 33' ' ' TYR . 55.1 m-70 -88.63 -47.32 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -136.1 163.12 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.56 123.59 44.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 44' ' ' GLU . 81.4 t -80.22 -66.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -125.56 177.84 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -30.43 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 3.8 t-20 -117.92 -36.87 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -76.38 141.81 41.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -124.51 174.1 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HB2' HG23 ' A' ' 38' ' ' VAL . 1.1 tm-20 -120.04 131.72 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.95 175.54 27.22 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -141.43 121.33 13.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' GLY . 11.3 t-80 -105.65 133.16 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -35.66 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -78.24 -69.49 1.39 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -131.0 177.06 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 51' ' ' LEU . 5.9 tt -135.66 148.87 49.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.29 -165.32 38.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.426 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -100.93 154.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.369 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -156.67 152.83 23.32 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 164.93 32.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.359 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -93.96 -52.24 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.88 -50.95 7.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -42.49 -33.54 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.674 HG12 ' HA ' ' A' ' 12' ' ' LEU . 19.9 m -118.95 166.57 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -144.08 131.6 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.7 112.19 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.94 178.04 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.0 p -85.01 117.12 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.78 -156.7 22.14 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 90.64 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 0.0 112.309 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 t -119.48 149.82 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 p -48.88 -50.44 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.808 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 t -103.19 122.75 45.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 m -54.85 -58.67 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.78 -143.68 32.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -127.56 115.82 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.886 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.55 -54.98 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.46 69.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -82.91 -56.67 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.65 171.65 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.48 139.04 47.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 12' ' ' LEU . 38.7 ttm-85 -95.14 149.89 20.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.4 mm? -73.64 108.87 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.6 mtmt -56.67 -24.73 50.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.53 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 15.3 m-85 -161.61 160.96 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 143.23 58.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -124.08 132.49 53.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -107.62 103.59 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -63.86 103.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -67.68 -37.17 81.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -103.0 161.19 23.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -23.32 30.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 23.2 mtpp -74.76 -38.41 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 55.7 mt-10 -60.23 177.1 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 47' ' ' HIS . 9.3 mt -123.47 142.64 50.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.3 m -94.58 121.12 35.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD23 ' CD2' ' A' ' 47' ' ' HIS . 11.3 mt -133.22 132.07 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.65 155.21 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -58.66 116.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 53.02 2.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -124.57 169.33 12.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.757 0.313 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mm -110.4 142.37 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.3 m -141.26 161.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -124.92 116.23 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.89 110.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -86.8 -55.04 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -130.92 171.24 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -106.57 132.2 52.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 53' ' ' ILE . 90.8 t -90.16 -57.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -135.42 176.58 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -52.82 -31.39 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -117.17 -33.62 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -79.72 144.71 33.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.54 166.08 23.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.43 153.02 29.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.71 170.82 41.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -116.33 135.97 53.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.505 ' CD2' HD23 ' A' ' 26' ' ' LEU . 9.0 t-80 -131.96 113.4 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 61.02 41.72 13.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.47 -36.55 2.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 7.7 tpp180 -72.05 148.16 46.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 2.9 mt -117.18 166.59 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 167.76 -149.08 13.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.415 HG22 HG21 ' A' ' 38' ' ' VAL . 23.4 pt -138.23 143.84 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -145.34 154.93 54.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.1 Cg_endo -69.72 154.52 67.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.254 . . . . 0.0 112.359 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -79.7 -54.72 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' TYR . 3.0 t30 -40.68 -52.26 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 7.3 m-85 -37.22 -38.49 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 12' ' ' LEU . 28.3 m -118.72 147.2 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -144.42 143.56 30.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.83 110.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -53.9 147.8 11.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -159.64 164.81 33.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.806 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.14 -95.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 89.51 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' SER . 8.5 t -76.22 -54.7 6.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' SER . 23.1 t -38.1 -55.61 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -62.55 -45.09 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -96.95 164.68 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.791 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.1 -141.66 12.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m -80.21 108.32 13.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -108.48 127.79 54.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.43 119.56 6.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 171.74 8.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.1 165.58 11.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 59' ' ' VAL . . . -122.06 130.96 53.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' HE ' ' CD1' ' A' ' 31' ' ' ILE . 3.0 tpp85 -94.13 133.27 37.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -63.26 121.7 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 21.1 mtpp -74.56 -19.65 60.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 73.9 m-85 -164.09 176.4 9.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -72.39 134.39 45.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -115.2 105.28 12.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -90.21 119.59 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.92 121.1 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -81.23 -33.08 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -98.75 159.44 30.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -38.59 7.51 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -58.88 -42.34 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -57.48 160.82 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' ' 50' ' ' ARG . 1.8 tt -104.14 124.06 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 24' ' ' LEU . 22.5 m -79.14 119.6 22.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' CG1' ' A' ' 32' ' ' VAL . 8.7 mt -132.96 169.38 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.87 168.27 20.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -65.1 137.62 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.21 -13.99 66.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.475 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -84.11 159.35 21.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' ' HE ' ' A' ' 11' ' ' ARG . 47.2 mt -137.3 122.44 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 5.3 m -100.98 174.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -118.71 111.7 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -79.76 111.98 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -92.28 -62.73 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.33 177.17 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -110.78 114.09 27.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 91.5 t -79.18 -56.45 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -142.47 177.69 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -60.85 -36.75 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -115.74 14.57 16.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 43' ' ' LEU . 99.5 m95 -130.11 149.41 51.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 42' ' ' TRP . 23.1 mt -148.82 142.59 25.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.4 tt0 -94.86 152.14 18.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.99 154.75 22.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 46' ' ' GLU . 7.2 tm-20 -122.42 133.57 54.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -134.44 142.82 47.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -53.17 107.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.52 -33.37 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' HB3' HD21 ' A' ' 24' ' ' LEU . 20.6 mtt180 -124.66 131.28 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 1.8 tt -142.47 134.5 27.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 24' ' ' LEU . . . 156.84 -164.6 32.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.81 151.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 18.2 p90 -148.62 153.0 39.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.76 160.66 48.87 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.49 -53.59 4.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -43.6 -42.31 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.4 m-85 -49.33 -37.71 25.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 12' ' ' LEU . 8.7 m -118.74 131.68 70.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HD2' ' A' ' 13' ' ' LYS . 7.3 mp0 -102.82 132.69 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.37 117.48 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -71.8 139.66 49.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.2 m -44.92 -45.54 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.19 166.55 11.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 0.22 5.93 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 m -120.13 164.15 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -67.95 -56.01 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -51.22 -45.58 61.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -86.19 -43.16 13.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 106.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -78.21 -53.24 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -78.68 161.57 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.41 -103.58 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -156.72 122.98 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 31' ' ' ILE . . . -113.01 119.61 38.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.88 128.94 48.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -89.02 149.03 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.78 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -81.74 102.1 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 2.8 mmmm -47.01 -27.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 94.6 m-85 -158.86 173.52 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.57 124.76 24.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.443 ' CE2' ' O ' ' A' ' 24' ' ' LEU . 19.9 t80 -105.49 134.74 48.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -116.23 104.32 11.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -80.59 127.4 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.68 -36.28 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -87.53 159.88 48.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.08 19.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -70.22 -36.54 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 80.5 mt-10 -62.35 176.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' C ' ' A' ' 51' ' ' LEU . 12.7 mt -127.57 139.08 52.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.1 m -96.43 117.0 29.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 12' ' ' LEU . 4.8 mt -133.28 167.91 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -121.66 171.56 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -66.26 118.06 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.56 1.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.64 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -144.73 125.65 14.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 HG21 ' HB1' ' A' ' 9' ' ' ALA . 4.1 mp -98.54 151.55 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.05 169.34 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -108.46 136.47 48.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.1 mp -101.57 106.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -78.38 -47.83 16.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 19.8 ptmt -136.83 174.95 10.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -118.45 125.13 49.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 44' ' ' GLU . 43.8 t -82.2 -65.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 3.0 t70 -128.7 177.95 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -38.55 66.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' ND2' ' OD1' ' A' ' 57' ' ' ASN . 4.9 m120 -118.03 17.84 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 39' ' ' ASP . 90.4 m95 -127.2 121.97 32.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.52 177.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.9 tt0 -140.7 113.48 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.96 172.01 21.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 51' ' ' LEU . 9.6 pt-20 -140.51 126.5 19.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.846 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' GLY . 14.1 t-80 -103.39 137.7 41.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' HIS . 9.7 m80 -36.3 -32.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -88.84 -65.93 1.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -116.4 171.85 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.767 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -148.17 149.34 31.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 51' ' ' LEU . . . 169.68 -129.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.463 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 42.3 pt -145.14 165.78 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -157.34 154.9 26.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.6 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.8 Cg_endo -69.7 164.63 33.76 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.619 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -86.3 -57.17 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.496 ' OD1' ' ND2' ' A' ' 41' ' ' ASN . 1.0 OUTLIER -38.82 -54.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.6 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.7 m-85 -39.13 -40.37 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.5 m -118.59 178.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.45 137.95 16.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t -57.39 110.44 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 62' ' ' LEU . 3.1 pp -151.7 153.73 34.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.3 t -145.69 148.64 33.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.77 -177.02 14.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.53 37.57 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.2 p -39.28 -49.34 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 96.3 p -79.87 177.86 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -56.62 167.3 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -156.21 167.71 29.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.2 158.47 31.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -94.74 -50.72 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -114.99 175.68 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 -65.46 2.23 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -40.44 -36.74 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.02 131.05 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.11 126.02 38.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -82.21 153.73 25.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -79.69 124.33 28.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 17.1 mtpp -62.55 -30.1 71.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 88.9 m-85 -161.12 169.69 21.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.72 114.51 3.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 12.9 t80 -98.49 133.32 43.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' ' 25' ' ' THR . 70.7 tp60 -119.59 105.79 11.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 23' ' ' GLU . . . -66.94 132.56 48.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.08 -40.27 13.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.3 p -90.63 153.33 45.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.691 0.758 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.634 2.223 . . . . 0.0 112.347 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.42 -33.24 8.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 33.2 mt-10 -69.23 163.05 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.477 HD21 ' CA ' ' A' ' 51' ' ' LEU . 11.7 mt -100.59 140.36 34.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' ' 17' ' ' GLN . 22.6 m -107.33 111.79 24.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 HD21 ' A' ' 12' ' ' LEU . 16.8 mt -122.13 173.91 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -123.39 165.58 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -54.97 117.23 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 54.46 2.3 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.96 163.55 20.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.4 141.89 39.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 20.1 m -135.75 153.89 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -106.01 121.97 45.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HD11 ' HZ ' ' A' ' 54' ' ' PHE . 16.6 mm -83.36 104.47 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -89.15 -42.33 11.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -154.41 147.5 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE2' ' CG2' ' A' ' 34' ' ' ILE . 14.7 mp0 -90.26 118.97 30.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 20.9 t -73.91 -66.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -124.49 176.68 6.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -67.09 -19.38 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -114.31 -37.21 4.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.636 ' O ' HD23 ' A' ' 43' ' ' LEU . 79.8 m95 -93.63 156.68 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 42' ' ' TRP . 20.9 mt -139.28 160.25 40.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 6.5 tt0 -105.29 158.01 16.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.75 159.09 32.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -137.49 134.72 36.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.17 149.12 52.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -54.62 103.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.59 -40.49 2.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -128.04 133.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CA ' HD21 ' A' ' 24' ' ' LEU . 2.1 pt? -149.16 138.25 21.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.87 -126.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.75 158.9 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HZ ' HD11 ' A' ' 34' ' ' ILE . 46.0 p90 -157.31 152.58 21.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.677 0.751 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.9 Cg_endo -69.75 148.82 65.98 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.08 -50.0 12.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -44.64 -50.85 9.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.634 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -41.36 -32.27 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' LEU . 32.6 m -118.85 136.33 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.171 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -114.43 122.66 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -55.97 119.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -99.79 174.32 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.1 m -124.1 152.2 43.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.71 146.06 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 122.42 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.239 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.5 p -39.03 -48.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.2 m -122.86 152.22 40.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -62.08 -53.13 59.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -97.76 126.01 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.71 -83.15 0.94 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -88.89 165.62 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -89.64 -62.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.94 -142.01 6.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 127.0 32.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.78 127.93 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.6 126.68 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -89.06 130.66 35.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD13 HG12 ' A' ' 59' ' ' VAL . 4.6 mm? -63.3 115.6 4.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 12.3 mmmt -44.57 -36.86 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 85.2 m-85 -160.91 171.09 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 121.7 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -105.93 128.68 53.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -108.58 106.9 17.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.576 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -83.97 122.66 29.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -88.17 -32.44 18.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 m -86.6 157.71 55.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.755 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.59 22.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 28.8 mtpt -72.17 -35.96 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -70.76 148.86 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.88 145.49 26.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.9 m -97.72 115.36 27.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 47' ' ' HIS . 5.7 mt -129.52 154.53 46.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -108.36 172.13 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -62.46 125.65 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 55.62 3.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.429 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -122.28 135.38 54.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.9 mm -95.06 139.0 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.7 m -147.05 165.85 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -110.58 136.45 49.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.3 mm -99.8 109.73 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -89.02 -38.36 14.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CG ' ' HB3' ' A' ' 44' ' ' GLU . 14.4 pttt -151.8 177.98 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -121.74 123.48 41.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -72.35 -65.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' CG ' HG12 ' A' ' 38' ' ' VAL . 9.2 m-20 -128.67 172.66 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -49.79 -29.46 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.698 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 5.4 m-80 -116.45 -26.67 7.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.574 ' C ' HD22 ' A' ' 43' ' ' LEU . 95.6 m95 -85.93 132.01 34.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 43' ' ' LEU . 0.6 OUTLIER -106.27 174.42 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.616 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.0 tt0 -139.88 135.77 33.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.682 ' O ' HD23 ' A' ' 51' ' ' LEU . . . -174.06 179.24 45.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.73 152.2 36.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.459 ' CD2' HD23 ' A' ' 26' ' ' LEU . 22.3 t60 -149.48 111.98 4.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.3 m80 62.45 38.4 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.23 -39.74 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -73.31 138.13 45.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 45' ' ' GLY . 2.6 mt -111.62 162.41 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 177.9 -152.51 11.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 38' ' ' VAL . 33.0 pt -145.93 146.51 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 18.4 p90 -139.76 148.92 57.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.7 Cg_endo -69.71 152.42 69.56 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 41' ' ' ASN . . . -73.43 -39.26 65.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -54.98 -17.39 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.596 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 13.9 m-85 -92.73 -18.92 22.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.759 HG12 HD13 ' A' ' 12' ' ' LEU . 25.7 m -120.88 135.77 59.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -128.47 115.85 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.9 131.64 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -70.79 -58.05 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -84.02 128.57 34.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 156.44 -153.55 24.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.545 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' SER . 53.9 Cg_endo -69.76 95.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' PRO . 3.6 m -35.68 -52.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m 60.61 42.86 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -86.54 159.05 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -152.13 160.78 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.31 -104.98 0.29 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -143.66 136.1 27.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t -65.54 159.61 24.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.734 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . 132.79 -41.72 1.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 7' ' ' GLY . 20.6 mtpp -36.32 -43.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.01 121.86 33.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.85 165.35 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HB2' HD11 ' A' ' 62' ' ' LEU . 49.1 ttp85 -125.34 143.3 51.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.707 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.3 mm? -77.99 106.54 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 12.2 mtmm -51.26 -26.23 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.527 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 52.7 m-85 -159.86 154.11 23.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.03 112.25 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -93.2 135.76 34.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -119.99 103.59 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -70.11 128.51 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -85.31 -34.91 21.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -97.84 158.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.697 0.761 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -31.41 20.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.0 mtpt -67.49 -33.48 75.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 19.8 mt-10 -69.8 173.27 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HG ' ' CA ' ' A' ' 52' ' ' GLY . 11.4 mt -116.99 146.04 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -107.34 125.5 51.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD13 HD21 ' A' ' 12' ' ' LEU . 15.0 mt -138.35 167.72 21.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.31 167.27 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -59.21 116.2 3.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.65 45.87 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -120.77 142.0 49.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 139.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 m -143.19 145.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.81 137.04 37.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.1 mm -97.22 111.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -84.1 -55.65 4.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -139.19 161.74 36.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 29.8 mt-10 -92.55 119.84 32.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.483 HG23 ' C ' ' A' ' 43' ' ' LEU . 15.6 t -75.41 -68.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -124.5 176.14 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -29.7 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -112.98 -36.47 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -85.17 144.3 28.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' C ' HG23 ' A' ' 38' ' ' VAL . 12.8 mt -123.62 168.71 12.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 38' ' ' VAL . 6.3 tt0 -110.8 152.04 27.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -159.41 167.12 35.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -139.3 130.92 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 49' ' ' GLY . 18.1 t-80 -107.76 160.17 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' HIS . 2.8 t-80 -35.8 -31.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 47' ' ' HIS . . . -144.95 -33.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mmp_? -78.42 147.76 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' N ' HD21 ' A' ' 24' ' ' LEU . 27.1 tp -148.44 143.84 27.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 22' ' ' LYS . . . 163.72 -142.31 7.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.417 HG22 HG21 ' A' ' 38' ' ' VAL . 39.0 pt -139.54 161.28 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -156.7 154.37 26.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.751 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 53.4 Cg_endo -69.82 156.22 63.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.67 -53.57 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -40.81 -54.71 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 11.3 m-85 -38.53 -37.28 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.707 HG12 ' HA ' ' A' ' 12' ' ' LEU . 23.3 m -119.04 173.54 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -154.81 148.08 24.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG13 ' HA2' ' A' ' 7' ' ' GLY . 90.1 t -62.22 115.2 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 11' ' ' ARG . 18.9 mt -65.59 139.6 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 t -130.97 112.46 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.5 140.52 6.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.315 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -40.67 -57.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -49.05 -58.86 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -44.49 -49.79 9.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -132.9 168.11 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.21 -80.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -114.34 128.6 56.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 71.8 p -71.15 -51.86 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . 34.73 -108.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.6 mmmm -34.79 -48.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.322 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.35 124.66 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.65 135.23 36.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -84.06 154.09 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.773 HD13 ' CG1' ' A' ' 59' ' ' VAL . 4.6 mm? -86.22 109.27 18.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 22.3 mmmt -42.87 -34.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 59.7 m-85 -159.59 164.61 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.81 111.12 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 26.0 t80 -90.87 134.34 34.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -116.21 102.28 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -70.76 124.31 23.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -78.95 -35.07 43.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -103.95 161.19 23.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -30.43 22.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -35.19 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 24.7 mt-10 -73.87 177.74 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD21 ' CA ' ' A' ' 51' ' ' LEU . 10.7 mt -118.17 151.9 36.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.7 m -112.48 122.78 48.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD13 HD21 ' A' ' 12' ' ' LEU . 8.5 mt -132.23 169.0 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -123.25 161.2 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -62.32 110.67 1.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.84 41.9 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -121.69 156.74 32.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.5 mm -111.31 143.12 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.81 169.18 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.91 135.56 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -94.96 109.81 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -90.13 -44.84 9.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 157.45 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HG2' HD22 ' A' ' 43' ' ' LEU . 51.6 mt-10 -95.33 110.91 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 44' ' ' GLU . 93.0 t -68.41 -66.23 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.87 178.01 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -54.3 -33.88 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -114.67 -25.61 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -87.51 141.25 28.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 37' ' ' GLU . 38.8 mt -128.09 171.71 11.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' HG23 ' A' ' 38' ' ' VAL . 8.5 tt0 -120.86 151.88 39.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.0 9.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.22 144.31 18.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' HIS . 25.9 t-80 -102.69 160.8 14.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' HIS . 12.1 m170 -34.45 -39.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.64 -35.94 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.45 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -80.87 164.84 22.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CA ' HD21 ' A' ' 24' ' ' LEU . 9.2 tp -149.41 137.22 20.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' HD21 ' A' ' 24' ' ' LEU . . . 164.44 -136.85 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 39.8 pt -127.54 162.47 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 24' ' ' LEU . 42.2 p90 -155.2 153.68 27.39 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.649 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.1 Cg_endo -69.79 147.86 63.63 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 59' ' ' VAL . . . -74.69 -56.01 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' TYR . 10.9 t30 -40.61 -56.5 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.649 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.7 m-85 -34.17 -37.01 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.773 ' CG1' HD13 ' A' ' 12' ' ' LEU . 31.4 m -118.87 135.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -127.86 133.32 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.93 122.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.1 -46.05 79.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 m -71.97 115.24 10.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.87 146.25 4.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.02 2.7 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.2 p -83.28 107.07 15.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -50.54 -55.44 16.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -92.72 177.77 6.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -136.63 130.98 33.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.33 105.72 2.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -43.6 -56.38 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -131.99 131.45 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.47 -174.1 49.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -150.81 122.35 7.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.2 146.08 25.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.68 124.15 22.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 59' ' ' VAL . 27.7 ttt180 -90.38 148.82 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.749 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.2 mm? -83.6 119.31 24.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.609 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 40.5 mtmt -62.05 -21.31 64.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 35.9 m-85 -161.62 160.02 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' N ' ' HB2' ' A' ' 28' ' ' LYS . 1.4 p30 -63.13 111.84 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -90.82 118.29 30.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.95 117.9 35.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.57 126.37 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -88.05 -34.59 17.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -115.92 160.28 35.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.678 0.751 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.38 3.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.739 2.293 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' A' ' 53' ' ' ILE . 14.8 tttm -98.39 -30.14 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -76.16 178.0 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' THR . 1.9 tt -119.27 127.96 53.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 24' ' ' LEU . 55.9 m -81.97 114.4 20.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.68 130.54 50.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -79.01 165.45 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 15' ' ' ASP . 13.0 tttp -66.22 109.7 2.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.21 50.75 2.73 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 12' ' ' LEU . 9.8 t0 -114.05 136.27 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -91.0 119.9 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.74 164.12 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -119.02 111.47 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.81 104.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 46' ' ' GLU . 12.9 m80 -72.85 -58.48 3.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -137.46 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' OE1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -108.29 104.4 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 44' ' ' GLU . 24.2 t -65.56 -68.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -127.64 177.34 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -65.08 -21.76 66.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -115.94 -37.85 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -94.37 154.87 17.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 56' ' ' ALA . 5.6 mt -140.23 172.89 12.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 29.8 tt0 -106.21 155.86 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . -153.31 168.62 32.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 23.0 tt0 -147.82 122.14 9.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.451 ' CD2' ' H ' ' A' ' 48' ' ' HIS . 10.9 t-160 -102.68 160.79 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' H ' ' CD2' ' A' ' 47' ' ' HIS . 58.2 m-70 -34.41 -38.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -135.79 -34.0 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.53 152.38 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -148.96 134.89 18.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.19 -154.4 21.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 47.3 pt -122.94 163.6 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.098 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -157.29 153.09 22.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 53.6 Cg_endo -69.81 151.6 68.84 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.63 2.22 . . . . 0.0 112.308 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' HD11 ' A' ' 43' ' ' LEU . . . -79.65 -54.31 5.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -48.49 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 7.5 m-85 -41.07 -36.79 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.9 m -118.87 145.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -118.84 126.93 52.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -55.91 103.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -91.27 171.06 9.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.723 ' N ' HD22 ' A' ' 62' ' ' LEU . 7.9 t -154.07 171.25 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.27 146.14 2.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.82 3.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.7 p -55.29 116.69 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.0 m -70.86 167.8 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 t -77.22 -62.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -99.29 171.16 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.63 58.5 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -39.6 -47.7 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 m -100.36 136.37 40.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.01 65.59 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.9 -22.96 9.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB1' HG23 ' A' ' 31' ' ' ILE . . . -140.81 153.77 45.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.95 49.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -108.06 144.68 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -77.16 105.91 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 35.9 mtpt -46.89 -29.38 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 74.1 m-85 -159.56 166.09 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.82 113.04 2.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t80 -91.86 131.17 37.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -113.47 111.05 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 121.16 17.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -87.04 -36.22 18.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -93.88 152.86 40.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.732 . . . . 0.0 110.901 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.69 10.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 53' ' ' ILE . 21.2 tttp -103.95 -13.36 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -86.91 173.54 9.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD13 ' CD2' ' A' ' 47' ' ' HIS . 8.8 mt -118.74 147.45 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -108.18 128.2 54.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.641 HD21 ' CD2' ' A' ' 47' ' ' HIS . 12.3 mt -133.94 172.89 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -117.71 161.28 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -61.55 119.41 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.66 55.0 2.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.27 138.76 50.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.507 HG23 ' HB1' ' A' ' 9' ' ' ALA . 47.0 mm -94.56 135.2 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.545 ' HB ' ' CE1' ' A' ' 47' ' ' HIS . 27.2 m -135.74 173.19 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -118.21 140.74 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.89 109.57 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -82.77 -53.88 5.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -150.76 150.39 30.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' HD22 ' A' ' 43' ' ' LEU . 23.9 mt-10 -85.23 123.88 31.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG23 ' HB2' ' A' ' 44' ' ' GLU . 84.6 t -74.01 -64.29 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -124.51 170.6 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -47.95 -28.18 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -117.99 -37.4 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -77.1 141.04 40.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD22 ' HG2' ' A' ' 37' ' ' GLU . 47.9 mt -127.03 157.53 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HB2' HG23 ' A' ' 38' ' ' VAL . 3.3 tt0 -111.55 159.48 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.0 163.51 20.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -108.43 143.87 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' CD2' HD21 ' A' ' 26' ' ' LEU . 4.8 m-70 -137.14 106.81 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.1 m170 67.51 40.21 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.31 -38.56 3.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -72.55 133.29 44.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tp -111.58 151.59 28.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.91 -140.48 3.34 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 HD13 ' HE3' ' A' ' 22' ' ' LYS . 41.8 pt -146.09 147.62 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' NE2' ' A' ' 47' ' ' HIS . 33.6 p90 -152.57 154.57 31.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.62 0.724 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.491 ' HB2' ' ND2' ' A' ' 57' ' ' ASN . 53.6 Cg_endo -69.72 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.86 -50.1 6.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 3.3 p30 -44.39 -54.58 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.3 m-85 -41.19 -30.39 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.7 m -118.85 166.18 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -155.2 157.74 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 81.2 t -70.69 102.01 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD13 ' O ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -76.42 151.9 36.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.759 ' N ' HD22 ' A' ' 62' ' ' LEU . 2.5 p -98.0 -42.09 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' N ' ' CD2' ' A' ' 62' ' ' LEU . . . -143.5 146.18 16.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 156.34 63.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.364 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m 58.72 44.76 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 t -86.03 -60.79 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -57.82 175.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -160.94 161.82 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.63 94.63 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -109.97 177.02 4.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -136.99 130.13 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.16 -106.45 0.19 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.29 121.1 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.03 154.73 18.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.44 130.24 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.474 HH12 HD21 ' A' ' 62' ' ' LEU . 19.9 ttp-105 -105.74 153.55 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.594 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.9 mm? -84.28 105.6 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.8 mtpp -48.67 -25.89 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 34.0 m-85 -160.66 174.99 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.5 128.05 34.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -110.36 111.65 23.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -96.67 123.74 40.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -99.13 128.36 45.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -92.96 -32.7 14.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 158.53 34.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -29.64 23.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.397 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -70.11 -36.73 75.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt-10 -63.3 171.08 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' HB2' ' N ' ' A' ' 53' ' ' ILE . 1.6 tt -118.86 122.55 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.6 m -79.71 115.05 19.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.95 174.65 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -136.86 167.71 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -61.94 113.72 2.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.07 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.53 120.76 43.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.24 121.78 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 m -131.48 166.41 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -119.37 127.9 53.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -79.94 102.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -94.84 -46.14 7.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' CD ' ' A' ' 44' ' ' GLU . 33.9 tttp -123.55 156.5 35.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -123.34 112.11 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.619 HG12 ' OD1' ' A' ' 39' ' ' ASP . 5.0 t -71.76 -67.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.619 ' OD1' HG12 ' A' ' 38' ' ' VAL . 1.5 m-20 -126.39 177.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -58.8 -21.27 55.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -117.95 -37.94 3.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' C ' HD22 ' A' ' 43' ' ' LEU . 99.5 m95 -81.42 121.68 26.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.971 HD21 ' HB2' ' A' ' 56' ' ' ALA . 1.7 mm? -101.16 178.13 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -147.17 131.82 17.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.44 -153.74 6.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -157.6 134.17 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -102.62 160.89 14.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -51.95 -27.53 13.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.18 -36.45 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -95.45 156.65 16.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.536 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.9 tt -149.61 139.0 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 24' ' ' LEU . . . 157.5 -147.43 15.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' N ' ' HB2' ' A' ' 24' ' ' LEU . 41.9 pt -120.19 163.81 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -156.48 147.06 16.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.75 150.39 68.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.971 ' HB2' HD21 ' A' ' 43' ' ' LEU . . . -74.18 -51.65 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -41.8 -57.06 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 9.9 m-85 -39.47 -34.39 0.21 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' A' ' 12' ' ' LEU . 17.3 m -118.81 177.97 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.087 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -155.02 126.44 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.11 109.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD21 HH12 ' A' ' 11' ' ' ARG . 24.9 mt -61.34 110.63 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.0 p -61.38 159.21 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.84 166.28 48.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 102.4 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.8 p -85.24 128.04 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.2 m -152.27 120.7 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -89.33 146.67 24.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -63.21 -56.3 17.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.83 105.41 3.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 -45.36 26.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -74.86 -52.38 11.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.11 -176.41 18.75 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -135.99 120.97 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.08 160.59 14.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.34 132.06 33.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -93.27 150.5 20.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 26' ' ' LEU . 4.3 mm? -72.26 113.97 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 15.2 mmmt -59.58 -23.23 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 48.8 m-85 -161.46 176.57 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.21 122.9 22.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 16.0 t80 -106.79 135.19 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -119.42 115.69 24.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 23' ' ' GLU . . . -86.06 129.88 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -93.56 -28.97 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -102.75 159.55 28.97 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.3 37.05 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -79.15 -33.35 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 35.5 mt-10 -75.54 162.01 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -112.49 143.63 43.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.9 m -93.86 117.92 30.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.921 HD13 HD21 ' A' ' 12' ' ' LEU . 18.5 mt -127.79 162.87 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -129.74 171.08 13.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -58.48 105.05 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.63 47.1 1.32 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 130.48 53.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.803 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.4 mm -94.56 125.06 47.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.49 169.72 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -125.17 119.16 27.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.0 mt -93.99 114.79 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -95.17 -47.78 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -135.69 155.63 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -99.13 123.51 43.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG23 ' HB2' ' A' ' 44' ' ' GLU . 92.6 t -75.63 -66.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -126.08 174.16 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.45 -38.16 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -108.38 -32.4 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -82.29 139.09 34.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.963 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -126.22 165.65 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.7 tt0 -121.04 158.51 27.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.49 165.32 24.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.29 153.96 34.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -157.4 129.84 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t60 59.73 38.59 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.54 -39.22 2.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -72.41 130.45 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 52' ' ' GLY . 3.6 tt -109.86 139.77 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' HD23 ' A' ' 51' ' ' LEU . . . -169.23 -178.17 40.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.4 pt -107.51 152.26 9.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -154.91 154.71 29.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.652 0.739 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.603 ' CG ' ' CD1' ' A' ' 58' ' ' TYR . 54.0 Cg_endo -69.73 169.32 19.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.36 -48.08 6.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -47.44 -41.46 20.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CD1' ' CG ' ' A' ' 55' ' ' PRO . 10.9 m-85 -50.6 -31.51 16.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 149.41 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -130.81 136.29 48.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t -58.11 125.83 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mt -82.01 122.51 27.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 t -54.99 -53.05 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.825 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.09 146.28 17.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -35.04 13.37 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.74 2.294 . . . . 0.0 112.297 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 m 61.27 43.36 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.1 m -114.46 144.79 42.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.986 . . . . . . . . 0 0 . 1 stop_ save_