data_2ly7_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 2ly7 _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' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 65.44 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.086 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 64.3 111.108 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 75.13 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 70.41 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 73.14 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 74.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.091 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 64.12 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 74.43 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 53.03 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 75.31 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.899 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.077 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.34 112.313 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.538 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 74.22 111.102 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 55.44 110.868 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.31 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 74.52 111.135 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 74.41 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.081 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 75.23 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 75.23 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.51 111.101 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 70.12 111.114 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 74.51 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.095 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.03 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.871 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.775 0.321 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.108 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.53 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 64.3 111.111 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 73.14 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.03 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 74.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.14 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 74.43 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 53.03 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 75.31 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 74.14 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 72.24 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.133 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.34 112.261 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.53 112.482 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 74.22 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 55.44 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.31 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 74.52 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 74.41 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 75.0 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 74.44 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 74.23 111.161 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.05 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 75.23 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 75.23 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 73.51 111.072 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 70.12 111.038 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 74.51 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.092 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.805 0.336 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.134 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.34 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 64.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 73.45 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 75.13 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 73.14 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 74.14 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 74.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 64.12 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 74.43 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 53.03 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 75.31 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.126 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.105 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.34 112.303 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.539 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 74.22 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 55.44 110.838 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 74.52 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 74.41 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 64.21 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 74.44 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.198 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 71.05 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 75.23 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 75.23 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 73.51 111.091 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 70.12 111.118 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.147 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 73.03 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.907 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.2 111.144 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 64.3 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 73.45 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 73.14 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.21 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 64.12 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 74.43 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.062 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 53.03 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.31 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 74.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.162 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.42 111.195 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.34 112.364 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 64.53 112.534 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 74.22 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 64.12 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.898 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.31 111.143 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 74.52 111.124 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 74.41 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.34 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.406 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 75.0 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 74.44 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 71.05 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 75.23 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 73.23 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 75.23 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 73.51 111.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 70.12 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.098 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.888 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.873 0.368 . . . . 65.44 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.133 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 64.3 111.164 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 70.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 73.14 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.152 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 74.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 64.12 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 74.43 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 53.03 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 75.31 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.24 111.125 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.42 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.34 112.244 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 64.53 112.521 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.715 0.293 . . . . 74.22 111.164 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 55.44 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.31 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 74.52 111.142 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 74.41 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 64.21 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 75.0 112.523 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.119 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.05 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 75.23 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 73.51 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 71.42 110.974 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.12 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.887 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.758 0.313 . . . . 65.44 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.157 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 64.3 111.048 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 73.45 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 73.14 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.24 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.18 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 73.14 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 64.12 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 74.43 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 53.03 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 75.31 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.24 111.165 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.128 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.34 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 64.53 112.51 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 74.22 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 55.44 110.873 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.31 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 74.52 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 74.41 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 64.21 112.486 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 75.0 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 74.44 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.05 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 75.23 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 75.23 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 73.51 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 70.12 111.125 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.13 111.126 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 73.03 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.74 0.305 . . . . 65.44 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.08 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 72.53 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.3 111.102 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.41 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 73.14 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.206 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.03 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 74.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 73.14 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 64.12 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 74.43 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.166 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 53.03 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 75.31 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.895 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.24 111.19 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 73.42 111.134 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.34 112.342 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 75.12 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 64.53 112.529 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.785 0.326 . . . . 74.22 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 64.12 110.872 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 55.44 110.853 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.31 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 74.52 111.087 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 74.41 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.449 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 75.0 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 74.44 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 71.05 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.23 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 75.23 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 73.51 111.16 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.12 111.079 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 74.13 111.147 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.919 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 75.2 111.104 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 64.3 111.09 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 73.45 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 70.41 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 73.14 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.14 111.121 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.03 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 74.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.43 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 53.03 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 75.31 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.966 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.106 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.42 111.175 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.34 112.256 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 64.53 112.504 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.721 0.296 . . . . 74.22 111.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 55.44 110.864 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.31 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 74.52 111.115 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 74.41 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 64.21 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 75.0 112.487 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 74.44 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 75.23 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 75.23 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 73.51 111.072 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.885 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.12 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 74.13 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.936 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.168 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.951 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.3 111.094 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.45 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 70.41 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 73.14 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.24 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.144 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 74.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 71.44 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 64.12 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 74.43 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 53.03 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 75.31 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 72.24 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 73.42 111.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.34 112.359 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 64.53 112.414 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.801 0.334 . . . . 74.22 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 55.44 110.845 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.31 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 74.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 74.41 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 74.34 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 64.21 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 75.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 74.44 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 71.05 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 75.23 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 73.51 111.101 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 70.12 111.127 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.08 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.968 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 65.44 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 75.2 111.127 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 64.3 111.074 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.45 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 70.41 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 73.14 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.028 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 74.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.21 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 64.12 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 74.43 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.131 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 53.03 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 75.31 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.868 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 72.24 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.054 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.34 112.364 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 64.53 112.526 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 74.22 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 55.44 110.93 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.31 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 74.52 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 74.41 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 64.21 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 75.0 112.504 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 74.44 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 75.23 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 75.23 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 73.51 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 71.42 110.933 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 70.12 111.157 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 74.51 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.128 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.03 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.899 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 65.44 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.176 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.141 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.19 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 70.41 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 73.14 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 74.14 111.136 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.03 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 71.44 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.21 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 64.12 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 74.43 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.13 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 53.03 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 75.31 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.886 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.067 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.34 112.34 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 64.53 112.478 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 74.22 111.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 64.12 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 55.44 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.31 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 74.52 111.138 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 74.41 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 64.21 112.491 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 75.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 74.44 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 71.05 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 75.23 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 73.23 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 75.23 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 73.51 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.178 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.101 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.951 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 65.44 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.2 111.13 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.53 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 64.3 111.084 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 73.45 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.933 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.929 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 73.14 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.159 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 74.54 112.46 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.942 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 64.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 74.43 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 74.14 111.135 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 53.03 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 75.31 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 73.42 111.117 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.34 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 75.12 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 64.53 112.496 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.863 0.363 . . . . 74.22 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.876 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 55.44 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.31 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 74.52 111.152 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 74.41 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.34 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 64.21 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 75.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 74.44 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 71.05 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 75.23 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 75.23 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.51 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.872 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 70.12 111.133 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.156 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 73.03 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.946 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.751 0.31 . . . . 65.44 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.34 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.926 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 64.3 111.026 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 73.45 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 75.13 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.41 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 73.14 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.24 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.074 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 74.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.21 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 64.12 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 74.43 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.158 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 53.03 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 75.31 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.861 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.102 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.42 111.108 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.34 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 64.53 112.533 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 74.22 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.855 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.31 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 74.52 111.133 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 74.41 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 64.21 112.446 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 75.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 74.44 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.23 111.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 75.23 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.87 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 75.23 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 73.51 111.147 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 71.42 111.009 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.136 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.195 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.935 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.757 0.313 . . . . 65.44 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 75.2 111.096 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 64.3 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 75.13 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 70.41 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 73.14 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.14 111.145 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.53 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.03 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 74.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 74.41 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 74.43 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.15 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 53.03 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 75.31 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 72.24 111.131 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 73.42 111.124 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.34 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 64.53 112.515 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 74.22 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.885 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.31 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 74.52 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 74.41 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 64.21 112.543 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 75.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 74.44 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.139 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 71.05 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 75.23 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 75.23 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 73.51 111.194 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.093 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.107 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.887 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 65.44 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.3 111.105 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 70.41 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 73.14 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.24 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 74.14 111.087 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 75.03 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 74.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.949 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.169 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 64.12 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 74.43 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.115 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 53.03 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 75.31 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.089 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.149 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.34 112.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 64.53 112.528 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.809 0.338 . . . . 74.22 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.12 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.31 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 74.52 111.11 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 74.41 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 64.21 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 75.0 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 74.44 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.155 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.23 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 75.23 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.51 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 70.12 111.122 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 73.03 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.922 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.761 0.315 . . . . 65.44 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.153 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 64.3 111.122 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 73.45 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 75.13 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 73.14 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.14 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.03 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 74.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.14 111.103 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 64.12 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 74.43 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.143 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 75.31 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.922 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 72.24 111.059 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 73.42 111.133 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.34 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 75.12 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 64.53 112.478 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.36 . . . . 74.22 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 55.44 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.31 111.121 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 74.52 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 74.41 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 64.21 112.424 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 75.0 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 74.44 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.23 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.05 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 75.23 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 75.23 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 73.51 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.886 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 70.12 111.165 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.058 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.902 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 65.44 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.2 111.084 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 75.34 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.53 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.3 111.121 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.41 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 73.14 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.139 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 74.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 73.14 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 64.12 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 74.43 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.108 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 53.03 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 75.31 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.936 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.157 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 73.42 111.203 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.34 112.415 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 75.12 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 64.53 112.489 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 74.22 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 64.12 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 55.44 110.917 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.31 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 74.52 111.096 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 74.41 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 64.21 112.457 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 75.0 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 74.44 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.05 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 75.23 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 73.51 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 71.42 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 70.12 111.106 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 73.03 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.911 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 65.44 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.2 111.16 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 72.53 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.1 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.41 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 73.14 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 74.14 111.131 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 75.03 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.945 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 64.12 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.43 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.184 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 53.03 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.31 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.24 111.173 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.09 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.34 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 64.53 112.493 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.885 0.374 . . . . 74.22 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.12 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.863 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.31 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 74.52 111.173 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 74.41 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 64.21 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 75.0 112.456 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 74.44 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 75.23 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 73.51 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.962 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 70.12 111.116 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.51 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.983 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 65.44 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.121 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.3 111.115 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.45 111.153 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 70.41 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 73.14 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 74.14 111.168 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.14 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 64.12 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 74.43 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.171 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 53.03 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 75.31 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.925 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.42 111.117 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.34 112.367 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 64.53 112.491 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.812 0.339 . . . . 74.22 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.12 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 55.44 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.31 111.164 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.401 HG12 ' HD2' ' A' ' 98' ' ' PRO . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 74.52 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.401 ' HD2' HG12 ' A' ' 97' ' ' VAL . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 74.41 112.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.505 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 75.0 112.487 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 74.44 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.18 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 71.05 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 75.23 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.23 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 75.23 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 73.51 111.134 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.983 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.12 111.163 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.137 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 73.03 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 65.44 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 75.2 111.162 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 64.3 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.45 111.114 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 70.41 110.93 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 73.14 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.126 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.53 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.03 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 74.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 64.12 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 74.43 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.155 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 53.03 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 75.31 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 72.24 111.111 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.13 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.34 112.352 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 64.53 112.507 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.318 . . . . 74.22 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 55.44 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.31 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 74.52 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 74.41 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 75.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 74.44 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 71.05 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 75.23 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 75.23 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 73.51 111.12 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.95 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.12 111.157 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 74.13 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.934 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 74.43 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.11 145.8 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.22 111.124 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -89.7 92.87 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 71.45 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -164.61 137.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 73.5 111.141 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.17 -174.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.889 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -97.75 135.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 71.11 111.166 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -82.33 159.43 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.824 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.086 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 64.3 111.108 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 73.45 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 75.13 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 70.41 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 73.14 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 74.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.091 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 64.12 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 74.43 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 53.03 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 75.31 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.899 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.077 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.34 112.313 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.6 -170.17 43.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 64.53 112.538 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.32 -53.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 73.54 111.145 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -66.33 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.187 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -53.2 -30.56 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 72.01 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.16 164.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -111.55 165.8 11.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.145 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.84 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.11 111.083 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.14 -35.46 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.909 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -70.94 -31.68 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 72.33 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -63.93 -48.97 74.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.71 -26.05 59.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.33 -22.25 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.906 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -56.17 -42.54 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.829 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.58 -22.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.02 111.109 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mm -75.21 -50.68 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.139 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.46 -25.91 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.871 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.52 -19.78 51.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 72.33 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -148.82 138.25 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.366 . . . . 71.23 110.898 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.47 157.86 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.886 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.53 133.39 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.43 111.067 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.38 134.51 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -115.8 133.15 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.911 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 m -131.99 177.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.102 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 64.12 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 55.44 110.868 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.31 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 74.52 111.135 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 74.41 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 74.34 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 75.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 74.44 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.081 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 75.23 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 75.23 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 73.51 111.101 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 71.42 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 70.12 111.114 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 74.51 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 74.13 111.095 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.03 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.47 126.57 30.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.871 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -107.29 130.13 54.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -140.48 134.36 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.862 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -133.34 146.17 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.43 169.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.083 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -92.63 128.47 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 63.11 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.14 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 73.43 110.904 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.03 -21.06 7.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 74.14 112.485 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.325 . . . . 74.13 110.821 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.342 . . . . 74.43 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.41 130.03 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 75.22 111.061 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -61.66 144.51 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -138.9 159.09 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.5 111.138 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.31 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 74.54 110.851 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -95.86 125.24 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 71.11 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -83.02 159.29 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.108 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 72.53 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 64.3 111.111 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 73.14 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 75.03 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 74.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.41 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.14 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 64.12 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 74.43 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 53.03 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 75.31 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 74.14 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 72.24 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.133 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.34 112.261 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.56 153.08 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.53 112.482 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 t -73.23 -25.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 73.54 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -24.16 60.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 75.12 111.219 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.12 37.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -98.33 172.14 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 75.23 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -102.24 161.14 13.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.121 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.96 -33.75 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 64.11 111.036 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.05 -45.18 83.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.924 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.46 -29.73 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 72.33 110.939 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -65.4 -49.11 70.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.905 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -78.9 -21.62 47.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.12 -23.53 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.924 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -58.04 -44.86 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.01 110.849 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 -23.84 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 71.02 111.071 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.7 mm -71.03 -57.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -75.0 -25.85 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.02 29.71 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 72.33 112.479 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -173.07 122.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 71.23 110.9 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.43 143.88 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.866 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.92 137.36 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -76.18 140.5 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 72.01 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.05 156.78 26.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.918 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.87 176.95 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 74.22 111.124 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 64.12 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 55.44 110.91 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.31 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 74.52 111.089 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 74.41 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 64.21 112.493 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 75.0 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 74.44 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 74.23 111.161 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.05 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 75.23 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 75.23 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 73.51 111.072 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 70.12 111.038 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 74.51 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.092 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.83 141.83 53.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.922 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -96.45 157.57 15.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.938 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.6 mmt-85 -52.21 138.36 26.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.45 110.9 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 146.16 50.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.36 152.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.14 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.6 t -62.66 115.8 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 63.11 110.859 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.54 -60.33 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.858 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.33 32.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.712 -0.756 . . . . 74.14 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 74.13 110.806 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.794 0.33 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.21 136.03 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 75.22 111.087 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -108.09 135.4 49.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -113.14 -175.68 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.14 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -177.16 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.54 110.845 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.52 125.92 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 71.11 111.156 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -123.45 159.21 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 65.44 110.841 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 75.2 111.134 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.34 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 64.3 111.071 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 73.45 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 75.13 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 73.14 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 74.14 111.151 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 74.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 64.12 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 74.43 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 74.14 111.11 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 53.03 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 75.31 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.885 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 72.24 111.126 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.105 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.34 112.303 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.22 152.4 19.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 64.53 112.539 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.19 -28.47 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 73.54 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 75.12 111.048 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.52 -31.0 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -53.35 151.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.962 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 p -110.5 164.73 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 73.31 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.37 62.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 64.11 111.106 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.19 -35.29 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.844 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -79.41 -42.86 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.867 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -52.47 -48.1 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.37 -28.15 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.921 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.8 -25.41 63.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.993 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.36 -44.02 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 75.01 110.87 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.9 -24.91 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.113 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.1 -59.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.176 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.06 -26.04 59.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.816 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.6 31.58 81.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.513 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -150.29 133.95 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 71.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -55.74 125.41 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 74.22 110.963 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.1 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.091 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.35 155.08 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.813 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.99 142.32 47.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.931 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.8 179.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.22 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 64.12 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 55.44 110.838 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 74.52 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 74.41 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 64.21 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 74.44 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.198 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 71.05 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 75.23 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 75.23 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 73.51 111.091 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.914 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 70.12 111.118 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.147 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 73.03 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -94.17 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.907 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -118.47 157.22 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.911 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -136.99 141.22 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.45 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -94.78 144.91 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.926 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.41 154.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.21 111.108 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.8 t -61.25 121.46 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 63.11 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -111.22 55.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 110.77 -21.52 23.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 74.14 112.52 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 74.13 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 74.43 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -122.54 144.39 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 75.22 111.149 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -134.97 157.55 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.932 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -57.83 158.48 6.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 73.5 111.15 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.34 -175.99 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.862 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.23 134.23 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 71.11 111.067 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -121.18 159.21 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.845 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.2 111.144 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 72.53 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 64.3 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 73.45 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 70.41 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 73.14 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.918 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.21 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 64.12 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 74.43 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.062 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 53.03 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 75.31 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 74.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.162 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.42 111.195 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.34 112.364 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 157.71 18.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 64.53 112.534 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.54 -33.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 73.54 111.146 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -65.08 -28.18 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.077 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.26 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.817 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 tp -100.22 165.92 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.929 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -97.08 154.33 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.088 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -31.78 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.11 111.077 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.78 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -65.6 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.849 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -69.84 -49.1 55.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.55 -27.3 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.28 -25.49 67.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.975 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -59.14 -42.95 91.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.828 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.75 -24.91 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.02 111.082 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.07 -58.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.107 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.45 -25.97 54.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.865 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.16 37.96 87.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 72.33 112.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -168.05 138.55 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 71.23 110.926 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.63 129.31 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.82 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.25 155.91 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 74.43 111.084 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -104.69 138.27 41.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -115.2 137.59 51.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.919 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.9 m -131.75 174.92 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 74.22 111.168 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 64.12 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.898 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.31 111.143 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 74.52 111.124 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 74.41 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.34 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.406 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 75.0 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 74.44 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 71.05 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 75.23 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 73.23 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 119' ' ' LEU . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 75.23 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 73.51 111.12 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.42 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 70.12 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.098 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.7 114.01 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.888 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 157.43 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.85 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.67 122.48 16.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 73.45 110.916 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -116.6 146.28 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.856 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.42 166.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.165 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.7 p -52.07 123.38 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 63.11 110.818 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -55.5 150.69 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.951 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.07 -24.63 31.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 74.14 112.461 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.4 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 74.13 110.958 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 74.43 110.87 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 145.16 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.22 111.102 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -108.21 95.09 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -59.36 159.06 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.5 111.21 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -102.27 -175.06 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -86.84 130.66 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 71.11 111.126 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -106.68 159.18 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 65.44 110.778 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.133 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 64.3 111.164 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 70.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 73.14 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.152 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 74.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 64.12 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 74.43 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.14 111.136 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 53.03 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 75.31 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.94 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 72.24 111.125 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.42 111.11 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.34 112.244 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.14 175.18 29.43 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 64.53 112.521 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.63 -24.47 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 73.54 111.112 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -53.9 -28.29 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -123.71 62.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.892 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tp -108.16 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.0 p -93.69 160.16 14.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.208 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 64.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.84 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.57 -30.71 57.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -62.56 -48.98 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.45 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.78 -27.71 65.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.955 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.71 -24.49 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.87 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.5 -46.82 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 75.01 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.63 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 71.02 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.24 -55.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.156 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -75.0 -25.92 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.869 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.11 30.42 67.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.518 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -175.31 149.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 71.23 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 145.19 40.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.883 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.07 156.6 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.029 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 150.03 42.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.883 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -113.34 154.21 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t -144.15 155.08 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 74.22 111.164 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 55.44 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.31 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 74.52 111.142 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 74.41 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 64.21 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 75.0 112.523 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 74.44 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.119 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 71.05 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 75.23 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 73.51 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 71.42 110.974 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 70.12 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.128 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.75 113.94 25.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.887 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -88.38 140.9 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.903 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -58.12 162.45 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.45 110.865 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -116.73 146.3 42.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.92 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.42 151.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 73.21 111.17 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.5 t -59.71 129.15 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 63.11 110.882 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.68 -34.12 46.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.17 38.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.459 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 74.13 110.93 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.357 . . . . 74.43 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.28 147.78 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 75.22 111.141 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.14 113.45 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.852 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -127.86 -174.95 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.123 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -174.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.89 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.71 112.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.11 111.058 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -158.12 159.19 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.798 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.157 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 64.3 111.048 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 73.45 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 73.14 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.24 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.18 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 73.14 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 64.12 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 74.43 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 53.03 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 75.31 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.927 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 72.24 111.165 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.128 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.34 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.95 168.9 53.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 64.53 112.51 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.56 -24.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 73.54 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -71.79 -30.48 65.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 75.12 111.178 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -103.42 48.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.2 mt -86.75 166.35 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.845 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.2 p -95.37 172.44 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.181 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.15 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.154 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -77.52 -34.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -79.24 -47.56 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.33 110.895 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -52.01 -34.37 42.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 75.45 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.3 -26.0 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.918 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.4 tp -56.84 -35.22 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.915 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -56.3 -28.2 58.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.837 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.41 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.02 111.144 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.6 mt -75.82 -60.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.14 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.08 -26.07 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.822 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.22 69.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 72.33 112.509 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -139.02 161.65 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 71.23 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -82.37 108.14 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.08 145.66 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.158 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -84.81 137.79 32.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 -107.98 148.16 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.873 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.41 156.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 74.22 111.101 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 55.44 110.873 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.31 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 74.52 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 74.41 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 64.21 112.486 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 75.0 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 74.44 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 71.05 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 75.23 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 75.23 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 73.51 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 70.12 111.125 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.13 111.126 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 73.03 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.76 113.99 26.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 74.22 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 157.47 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.864 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -142.01 169.05 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.825 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -105.06 146.44 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.866 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.46 169.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 73.21 111.132 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.0 t -93.93 117.06 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 63.11 110.858 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.28 167.7 19.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 73.43 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.98 11.0 21.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 74.13 110.88 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 74.43 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.25 144.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.162 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -87.32 143.66 27.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.942 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -73.68 -175.3 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.5 111.124 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 -173.0 2.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.88 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.27 156.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 71.11 111.12 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -106.61 159.26 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.85 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 75.2 111.08 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 75.34 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 72.53 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.3 111.102 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 73.45 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 70.41 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 73.14 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.206 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.03 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 74.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.988 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 73.14 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 64.12 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 74.43 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.166 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 53.03 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 75.31 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 74.14 110.895 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.24 111.19 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 73.42 111.134 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.34 112.342 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 75.12 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.67 128.11 38.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 64.53 112.529 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -75.96 -29.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 73.54 111.096 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.71 -24.99 56.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.12 111.152 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -99.46 39.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.8 mt -82.06 172.08 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.912 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -96.07 177.23 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 73.31 111.149 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.58 -27.0 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.11 111.096 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -34.46 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.25 -47.58 15.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -52.03 -34.28 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.878 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.32 -26.14 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.905 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.77 -25.66 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -58.71 -43.71 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.822 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.08 -24.98 65.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 71.02 111.129 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.37 -59.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.175 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.09 -25.97 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.826 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 38.41 86.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 72.33 112.483 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.31 146.45 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 71.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -74.17 124.25 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.942 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.48 171.42 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.43 111.082 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -103.6 145.83 29.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 72.01 110.816 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -116.3 143.4 45.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.914 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m -136.29 179.65 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 74.22 111.182 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 64.12 110.872 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 55.44 110.853 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.31 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 74.52 111.087 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 74.41 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.449 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 75.0 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 74.44 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 71.05 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 75.23 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 75.23 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 73.51 111.16 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.9 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.12 111.079 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 74.13 111.147 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.09 123.3 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 138.44 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 73.3 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -55.52 164.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.957 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -140.34 144.74 36.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.973 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.33 166.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 73.21 111.162 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -78.59 110.1 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.11 110.821 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -112.67 147.56 36.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.55 -22.07 27.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.78 . . . . 74.14 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 74.13 110.887 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 74.43 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.65 145.89 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.22 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -125.07 80.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.905 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 p -140.85 -178.09 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.118 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -173.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.843 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.83 156.34 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 71.11 111.185 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -154.16 159.37 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 65.44 110.865 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 75.2 111.104 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 64.3 111.09 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 73.45 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 70.41 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 73.14 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.14 111.121 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.03 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 74.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 73.14 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 64.12 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.43 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.112 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 53.03 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 75.31 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.966 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.106 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.42 111.175 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.34 112.256 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.71 -159.63 7.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 64.53 112.504 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.78 -41.08 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 73.54 111.059 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -25.6 59.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.154 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.34 -32.68 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.01 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.42 169.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 75.23 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -119.48 168.04 11.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.121 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.28 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.089 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.1 -37.17 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 72.33 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -60.05 -48.87 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.893 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 pp -82.8 -27.34 31.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 28.1 tp -57.63 -25.73 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.922 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -55.02 -33.99 63.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.866 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.32 -23.54 57.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 71.02 111.075 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.2 mt -77.65 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.113 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -25.71 57.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.47 25.44 70.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 72.33 112.533 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.88 160.13 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 71.23 110.87 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.14 134.35 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 74.22 110.937 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.29 127.66 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.047 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -59.4 134.59 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -117.03 132.02 56.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.11 178.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.145 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 55.44 110.864 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.31 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 74.52 111.115 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 74.41 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.34 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 64.21 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 75.0 112.487 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 74.44 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 75.23 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 75.23 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 73.51 111.072 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 71.42 110.885 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 70.12 111.132 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 74.13 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.936 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.46 158.0 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -93.63 138.46 31.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 73.45 110.865 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.35 156.88 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 75.34 110.881 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.36 168.53 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.21 111.133 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t -52.29 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 63.11 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -74.66 -74.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.36 11.13 57.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.833 -0.699 . . . . 74.14 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 74.13 110.875 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.812 0.339 . . . . 74.43 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 t -141.26 148.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 75.22 111.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -103.94 87.23 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.95 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -58.57 146.18 36.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 73.5 111.133 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.09 -174.35 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.837 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.51 123.86 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 71.11 111.136 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -102.97 159.23 15.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 65.44 110.841 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.168 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 72.53 110.951 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.3 111.094 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.45 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 70.41 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 73.14 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.24 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.144 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 75.03 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 74.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 71.44 110.884 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.14 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 64.12 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 74.43 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 74.14 111.123 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 53.03 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 75.31 110.862 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.996 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 72.24 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 73.42 111.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.34 112.359 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.61 154.71 16.72 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 64.53 112.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.02 -26.79 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 73.54 111.152 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -69.67 -24.37 63.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 75.12 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -95.87 32.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 72.01 110.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.4 mt -99.37 172.02 7.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 75.23 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -105.86 175.88 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 111.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.11 111.072 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.68 -34.4 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.865 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.38 -47.51 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 72.33 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -52.03 -34.28 42.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.859 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.41 -27.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -56.2 -26.04 49.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.28 -41.72 98.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.21 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.162 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.08 -57.74 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.111 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.99 -25.89 59.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.52 68.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.33 112.481 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -152.9 139.68 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 71.23 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.96 139.28 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.894 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.87 172.91 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.43 111.083 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -113.01 115.85 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -116.92 131.86 56.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.883 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 m -134.56 178.28 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.22 111.208 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 55.44 110.845 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.31 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 74.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 74.41 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 74.34 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 64.21 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 75.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 74.44 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 71.05 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.23 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 75.23 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 73.51 111.101 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 71.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 70.12 111.127 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.08 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 119.26 24.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.968 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -81.03 152.11 28.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -70.38 161.55 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.45 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -119.41 144.73 46.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.37 168.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 73.21 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 t -87.31 81.52 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 63.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.61 156.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.824 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.91 -21.86 19.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.799 -0.715 . . . . 74.14 112.531 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 74.13 110.898 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.868 0.366 . . . . 74.43 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.51 146.96 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.22 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -109.46 155.81 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.923 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -130.74 -175.11 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.089 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -175.11 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.881 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 mp -91.6 125.38 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 71.11 111.147 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -159.33 159.28 33.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.944 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 75.2 111.127 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 64.3 111.074 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.45 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 70.41 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 73.14 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.028 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 74.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.21 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 64.12 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 74.43 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.131 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 53.03 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 75.31 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.868 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 72.24 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.054 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.34 112.364 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.22 152.93 18.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 64.53 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.6 t -87.0 -23.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 73.54 111.121 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.0 24.42 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 75.12 111.074 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.63 24.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 72.01 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.6 163.28 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.942 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -92.26 159.48 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.78 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.148 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -77.1 -34.06 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.88 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -79.17 -48.1 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.33 110.901 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -32.72 47.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.843 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 -25.17 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 72.43 110.898 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.03 -24.85 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 110.899 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -59.34 -42.51 91.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 75.01 110.901 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -25.02 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.02 111.058 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.86 -57.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.121 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -75.46 -25.8 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.91 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.96 23.16 78.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 72.33 112.47 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -158.83 161.48 36.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 71.23 110.927 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -72.42 143.56 48.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.56 132.65 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.075 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -76.41 124.45 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 72.01 110.82 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.871 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.44 175.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 74.22 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 55.44 110.93 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.31 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 74.52 111.119 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 74.41 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 64.21 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 75.0 112.504 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 74.44 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 74.23 111.121 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 75.23 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 75.23 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 73.51 111.126 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 71.42 110.933 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 70.12 111.157 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 74.51 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 74.13 111.128 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 73.03 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -89.8 126.2 35.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.899 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -59.85 145.79 44.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 73.3 110.93 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -88.04 160.47 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 73.45 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.9 147.56 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.33 167.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.21 111.114 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 p -52.06 123.16 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 63.11 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -73.8 161.48 30.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.913 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.18 11.03 46.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 74.14 112.527 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 74.13 110.838 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 74.43 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.67 150.02 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 75.22 111.113 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -124.33 137.39 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.45 111.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -119.45 157.33 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.121 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -174.38 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.888 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.59 127.69 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.112 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -79.38 159.34 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.88 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 75.2 111.176 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 72.53 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.3 111.141 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 73.45 111.19 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 70.41 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 73.14 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 74.14 111.136 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.03 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 71.44 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.21 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.14 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 64.12 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 74.43 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.14 111.13 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 53.03 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 75.31 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.886 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 73.42 111.067 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.34 112.34 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.51 165.65 15.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 64.53 112.478 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.6 m -88.1 -24.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 73.54 111.145 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 m -88.02 -22.46 24.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 75.12 111.084 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.67 25.71 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 72.01 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 mt -88.14 172.0 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 75.23 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.3 p -106.9 153.96 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.207 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.04 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 64.11 111.095 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -60.53 -34.93 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.852 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.68 -32.47 74.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.888 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -72.05 -48.9 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.886 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.46 -25.97 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.865 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -56.95 -25.81 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.869 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -57.7 -32.42 67.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.844 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.6 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.02 111.085 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.2 -60.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.062 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -25.89 56.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.31 24.59 76.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.808 -0.711 . . . . 72.33 112.473 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -151.81 152.96 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 71.23 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.02 139.24 57.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.875 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.63 128.47 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.43 111.127 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -103.94 157.54 17.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.837 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.09 156.14 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.941 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.17 159.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.09 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 64.12 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 55.44 110.873 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.31 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 74.52 111.138 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 74.41 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 64.21 112.491 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 75.0 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 74.44 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.117 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 71.05 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 75.23 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 73.23 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 75.23 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 73.51 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 70.12 111.178 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.101 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.48 114.04 22.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.951 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -85.09 156.85 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.869 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -74.2 168.83 18.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 73.45 110.844 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.15 146.15 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.43 168.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.161 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -92.34 115.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -171.78 134.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.958 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.59 37.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 74.14 112.425 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 74.13 110.857 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.831 0.348 . . . . 74.43 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 151.42 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -131.56 143.95 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.954 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 t -107.96 155.05 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.5 111.114 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -174.51 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.842 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.13 134.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 71.11 111.121 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -87.79 159.33 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 75.2 111.13 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 72.53 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 64.3 111.084 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 73.45 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.933 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 70.41 110.929 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 73.14 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.159 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 74.54 112.46 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 74.41 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.942 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.14 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 64.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 74.43 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 74.14 111.135 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 53.03 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 75.31 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 73.42 111.117 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.34 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 75.12 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.33 172.02 19.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 64.53 112.496 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.15 -28.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 73.54 111.166 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -55.15 -37.67 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 75.12 111.189 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -124.18 62.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 72.01 110.86 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tp -110.05 168.49 9.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.4 p -95.12 154.55 17.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.145 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.75 67.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 64.11 111.185 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.5 -34.84 78.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.33 -30.87 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.845 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -71.93 -49.09 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.854 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.3 -26.21 61.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.894 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.62 -26.23 65.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.973 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -61.91 -31.59 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.01 110.914 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.37 57.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.26 -60.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.174 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.15 -25.72 58.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 74.11 110.865 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.64 27.53 72.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 72.33 112.505 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.27 141.4 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 71.23 110.891 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -69.05 125.17 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.935 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.5 149.97 47.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 74.43 111.033 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.36 158.65 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 72.01 110.87 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -116.52 163.1 16.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.52 110.892 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t -134.64 154.47 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 74.22 111.07 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 64.12 110.876 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 55.44 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.31 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 74.52 111.152 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 74.41 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 74.34 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 64.21 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 75.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 74.44 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 74.23 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 71.05 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 75.23 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 75.23 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 73.51 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.872 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 70.12 111.133 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 74.13 111.156 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 73.03 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -66.92 148.97 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 74.22 110.946 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -118.09 142.45 47.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 73.3 110.922 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -92.16 154.9 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.45 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -136.44 146.27 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 75.34 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.5 160.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 73.21 111.126 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.2 t -73.87 120.56 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 63.11 110.831 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -90.86 131.37 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.61 -20.96 46.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.777 . . . . 74.14 112.488 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.13 110.791 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.759 0.314 . . . . 74.43 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -137.82 146.42 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -115.5 159.06 21.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -138.1 158.86 43.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.5 111.137 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -174.47 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.793 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -101.79 114.9 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 71.11 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -113.16 159.59 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.885 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.2 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 75.34 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.926 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 64.3 111.026 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 73.45 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 75.13 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 70.41 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 73.14 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.24 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.074 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 74.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.21 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 64.12 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 74.43 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.158 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 53.03 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 75.31 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.861 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.102 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.42 111.108 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.34 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.95 -177.6 18.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 64.53 112.533 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.4 p -88.54 -25.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 73.54 111.105 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 p -72.38 -21.78 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 75.12 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -95.33 35.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 72.01 110.895 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.72 163.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.959 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.3 p -113.88 175.56 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.151 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.26 -26.89 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.087 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -77.39 -34.53 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -47.73 15.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.87 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -52.18 -34.22 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.32 -25.56 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.927 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.02 -26.56 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.916 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.52 -44.83 89.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.893 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.96 -24.82 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.02 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.29 -60.15 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.197 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.11 -26.02 58.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.855 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.54 19.61 71.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 72.33 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -145.6 171.78 14.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 71.23 110.91 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -72.9 137.58 45.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.76 165.39 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 74.43 111.086 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -110.49 135.08 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -106.55 130.27 54.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.835 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.33 161.19 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 74.22 111.172 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.855 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.31 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 74.52 111.133 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 74.41 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 64.21 112.446 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 75.0 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 74.44 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.23 111.089 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 75.23 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.87 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 75.23 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 73.51 111.147 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 71.42 111.009 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 70.12 111.136 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 74.51 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.195 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -96.83 119.07 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.935 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -106.54 115.5 30.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.904 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -124.68 167.35 14.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -89.15 145.64 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.846 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.44 165.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 73.21 111.09 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.3 p -52.09 124.03 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.786 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -129.05 -44.75 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.43 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.64 11.06 23.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 74.14 112.431 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 74.13 110.883 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 74.43 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.6 143.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.168 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -89.81 151.47 21.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -164.26 161.37 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.5 111.159 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -179.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.857 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.39 132.51 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 71.11 111.133 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -156.22 159.2 38.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 75.2 111.096 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 72.53 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 64.3 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 73.45 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 75.13 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 70.41 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 73.14 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.14 111.145 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.53 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 75.03 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 74.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 74.41 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.14 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 64.12 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 74.43 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 74.14 111.15 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 53.03 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 75.31 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 72.24 111.131 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 73.42 111.124 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.34 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.2 166.85 12.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 64.53 112.515 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.61 -25.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 73.54 111.168 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.0 p -58.97 -38.42 79.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 75.12 111.197 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -111.52 46.14 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 tp -72.85 165.56 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.912 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.1 p -93.63 160.76 14.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.201 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.25 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.071 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.57 -34.49 53.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.936 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -79.23 -47.6 15.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.914 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -51.92 -34.34 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -27.28 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.947 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.23 -25.92 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.94 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.13 -42.52 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.923 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.36 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.129 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.96 -58.96 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.081 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -75.01 -25.99 59.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.916 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.28 27.3 70.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.722 . . . . 72.33 112.41 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -149.16 161.08 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 71.23 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.2 129.77 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.913 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.21 170.15 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 74.43 111.144 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.63 134.41 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.821 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -109.59 147.37 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.85 158.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.117 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.885 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.31 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 74.52 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 74.41 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 64.21 112.543 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 75.0 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 74.44 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.139 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 71.05 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 75.23 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 75.23 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 73.51 111.194 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 70.12 111.093 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.13 111.107 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 73.03 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.82 125.03 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.08 136.28 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.894 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -77.13 163.97 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -62.38 148.49 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.959 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.46 167.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 73.21 111.1 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -52.08 122.92 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 63.11 110.828 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -68.9 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.5 -19.67 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.447 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.715 0.293 . . . . 74.13 110.893 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 74.43 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.11 143.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.22 111.137 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -134.34 134.26 41.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.45 110.923 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 p -76.08 150.29 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.075 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -174.32 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.844 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.5 144.39 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 71.11 111.09 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -115.73 159.48 21.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 65.44 110.861 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 75.2 111.117 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.3 111.105 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 73.45 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 70.41 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 73.14 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.24 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 74.14 111.087 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 75.03 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 74.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.949 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.169 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 64.12 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 74.43 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.115 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 53.03 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 75.31 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 74.14 111.003 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.24 111.089 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 73.42 111.149 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.34 112.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.86 -176.03 49.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 64.53 112.528 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -89.42 -30.35 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.952 0.406 . . . . 73.54 111.089 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -89.13 -22.45 22.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 75.12 111.148 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.86 -32.1 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.919 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.44 155.01 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 75.23 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -119.98 177.05 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.158 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.31 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 64.11 111.069 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.31 -38.01 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.871 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -74.63 -30.55 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.865 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -48.95 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 75.45 110.915 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.76 -27.52 62.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.915 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.44 -24.82 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.951 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.92 -42.07 88.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.834 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -24.64 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 71.02 111.095 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.25 -59.44 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.32 111.109 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -76.26 -25.97 55.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.6 -26.98 13.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.824 -0.703 . . . . 72.33 112.418 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -131.36 152.49 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.23 110.925 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -78.48 137.63 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.901 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -119.89 125.72 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 74.43 111.107 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.33 137.65 28.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.845 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -116.04 140.28 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.53 171.16 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 74.22 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 64.12 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 55.44 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.31 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 74.52 111.11 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 74.41 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 64.21 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 75.0 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 74.44 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.155 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.05 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.23 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 75.23 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 73.51 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.916 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 70.12 111.122 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 73.03 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -78.45 143.99 36.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -125.83 157.65 37.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 73.3 110.883 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -64.25 125.56 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -98.93 144.96 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.931 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.55 169.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 73.21 111.096 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.3 t -98.58 121.43 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 63.11 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.04 150.12 14.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 73.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.07 -21.99 19.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 74.14 112.438 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 74.13 110.838 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.828 0.346 . . . . 74.43 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.26 145.69 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 75.22 111.107 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -90.01 143.21 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 71.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -140.57 157.38 45.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.175 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.18 -174.22 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.8 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.47 124.6 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 71.11 111.179 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -162.83 159.25 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 65.44 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.153 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.53 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 64.3 111.122 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 73.45 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 75.13 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 73.14 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.14 111.108 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.03 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 74.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 71.44 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.21 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.14 111.103 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 64.12 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 74.43 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.143 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 75.31 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.922 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 72.24 111.059 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 73.42 111.133 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.34 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 75.12 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.0 111.47 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 64.53 112.478 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -53.84 -32.86 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 73.54 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.2 t -60.77 -24.64 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.12 111.09 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -118.11 35.52 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.876 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.51 168.02 20.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.925 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.5 p -96.83 153.98 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 73.31 111.095 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -34.11 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.11 111.085 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.69 -34.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -78.78 -31.02 45.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -71.79 -49.04 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.841 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.48 -13.64 61.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.949 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.2 tp -72.96 -7.73 52.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.861 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -55.47 -39.51 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.01 110.858 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.08 -20.9 47.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.114 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.53 -57.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.32 111.089 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.42 -25.9 51.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.877 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.42 18.48 55.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.763 . . . . 72.33 112.524 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -162.04 143.61 10.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 71.23 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.72 121.93 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.975 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.51 142.26 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 74.43 111.12 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -78.71 137.02 37.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 72.01 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.38 160.02 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 p -139.14 160.78 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 74.22 111.099 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 55.44 110.872 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.31 111.121 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 74.52 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 74.41 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 64.21 112.424 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 75.0 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 74.44 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.23 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.05 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 75.23 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 75.23 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 73.51 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 71.42 110.886 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 70.12 111.165 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.058 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.58 114.37 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 74.22 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -113.51 156.62 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.803 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -61.45 137.21 58.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -54.19 155.71 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.3 pp -131.05 168.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 t -140.65 159.72 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.11 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -60.05 -26.56 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.881 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.73 11.09 80.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 74.14 112.512 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 74.13 110.879 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.922 0.392 . . . . 74.43 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.07 143.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 75.22 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -110.96 135.87 50.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.45 110.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -124.93 155.89 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 73.5 111.152 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -175.29 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.54 110.822 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.73 143.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 71.11 111.145 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -145.31 159.28 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 65.44 110.819 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 75.2 111.084 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 75.34 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.53 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.3 111.121 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 75.13 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 70.41 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 73.14 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.139 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 74.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 71.44 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.21 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 73.14 111.082 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 64.12 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 74.43 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.108 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 53.03 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 75.31 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.936 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 72.24 111.157 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 73.42 111.203 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.34 112.415 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 75.12 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.9 171.7 31.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 64.53 112.489 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -89.79 -19.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 73.54 111.15 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -94.59 24.42 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.12 111.135 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -132.37 20.62 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 72.01 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.23 172.06 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -115.4 162.76 16.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.126 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.17 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.073 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.41 -35.64 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.13 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -66.19 -40.81 90.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.45 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.08 -13.72 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.28 -7.49 52.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -55.63 -38.87 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.835 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.14 -19.95 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.4 mm -83.36 -59.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 73.32 111.09 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.94 -25.77 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 74.11 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.85 -20.12 51.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 72.33 112.452 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -170.22 147.07 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 71.23 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.77 122.73 16.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.91 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.28 155.23 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 74.43 111.095 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -56.15 135.4 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -115.9 148.1 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.42 179.63 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 64.12 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 55.44 110.917 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.31 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 74.52 111.096 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 74.41 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 64.21 112.457 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 75.0 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 74.44 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.05 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 75.23 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 73.51 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 71.42 110.922 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 70.12 111.106 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 73.03 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.08 113.63 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -132.16 140.31 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 73.3 110.957 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -125.34 168.96 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 73.45 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -51.41 146.98 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.937 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.15 156.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 73.21 111.129 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.7 t -60.27 125.23 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.86 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.96 -45.02 87.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.68 11.05 17.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 74.14 112.477 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.308 . . . . 74.13 110.888 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.327 . . . . 74.43 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -140.09 152.09 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.22 111.161 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -89.68 159.0 17.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.893 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.8 p -120.07 -173.6 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.5 111.154 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.41 -173.09 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -73.86 157.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 71.11 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -121.64 159.32 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.883 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.2 111.16 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 72.53 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 64.3 111.1 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 75.13 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.41 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 73.14 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 74.14 111.131 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 75.03 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.945 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 64.12 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.43 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.184 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 53.03 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.31 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.869 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.24 111.173 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.09 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.34 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.95 -161.61 10.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 64.53 112.493 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 m -91.27 12.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 73.54 111.179 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -68.65 -48.22 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 75.12 111.169 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -130.4 54.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.04 169.15 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.23 110.915 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -94.17 154.38 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 73.31 111.21 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.02 -36.03 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 64.11 111.076 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.15 -34.91 78.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.848 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.6 mmm-85 -51.93 -49.28 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.903 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.15 -27.03 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.891 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.6 -26.31 43.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.944 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -66.3 -29.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.01 110.872 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.31 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.02 111.163 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.2 mt -72.73 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -25.94 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.46 19.63 57.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 72.33 112.554 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -142.7 153.16 43.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 71.23 110.973 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.56 132.87 39.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.934 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.43 162.91 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.075 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -92.33 148.12 22.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 72.01 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -114.28 160.32 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.4 t -144.46 154.84 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.22 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.12 110.856 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.44 110.863 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.31 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 74.52 111.173 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 74.41 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 64.21 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 75.0 112.456 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 74.44 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 75.23 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 73.51 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.962 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 70.12 111.116 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.51 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.25 136.32 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -77.56 144.8 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.88 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.11 159.41 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -101.59 155.65 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.05 164.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.067 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 t -103.63 157.16 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 63.11 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -109.49 -45.53 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.68 11.14 57.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 74.14 112.494 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 74.13 110.82 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 74.43 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -135.33 147.02 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 75.22 111.175 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -56.38 145.74 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.935 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -137.55 151.53 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 73.5 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.81 -173.97 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.54 110.835 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.09 128.02 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.079 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -104.77 159.11 16.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.121 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 72.53 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.3 111.115 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.45 111.153 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 70.41 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 73.14 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 74.14 111.168 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.03 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 74.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 73.14 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 64.12 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 74.43 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.171 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 53.03 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 75.31 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.925 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 72.24 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.42 111.117 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.34 112.367 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.6 157.21 31.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 64.53 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 p -80.31 -29.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 73.54 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.7 m -80.82 -30.13 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 75.12 111.142 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -57.23 -25.86 59.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.01 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.14 166.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 75.23 110.962 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -120.0 170.09 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 73.31 111.084 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.46 73.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.067 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.35 -34.96 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.912 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.85 -30.13 61.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 72.33 110.86 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -63.54 -48.98 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.865 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 pp -72.06 -25.44 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.882 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.41 -24.96 48.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.891 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -55.38 -28.6 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.834 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.02 -26.07 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.102 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.37 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 73.32 111.144 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.05 -26.0 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.844 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.5 38.93 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 72.33 112.435 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -174.83 146.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 71.23 110.85 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -74.58 134.02 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.922 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 144.52 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 74.43 111.095 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -82.74 146.4 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.01 110.915 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mp0 -116.7 138.51 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.926 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 m -131.84 174.41 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.22 111.18 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.12 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 55.44 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.31 111.164 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.401 HG12 ' HD2' ' A' ' 98' ' ' PRO . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 74.52 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.401 ' HD2' HG12 ' A' ' 97' ' ' VAL . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 74.41 112.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.505 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 75.0 112.487 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 74.44 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.18 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 71.05 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 75.23 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 73.23 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 75.23 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 73.51 111.134 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.983 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.12 111.163 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.137 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 73.03 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.73 120.01 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.99 156.29 15.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.901 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.28 151.24 41.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.45 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -51.81 147.29 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.34 164.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.168 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 t -79.6 117.49 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.881 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.07 179.54 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 73.43 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.66 -22.8 33.03 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.664 -0.779 . . . . 74.14 112.414 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 74.13 110.875 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 74.43 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.1 144.03 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.22 111.143 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -132.25 128.43 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 71.45 110.885 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -58.02 172.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 73.5 111.166 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -173.15 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.859 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.8 156.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.11 111.119 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -128.57 159.49 35.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 75.2 111.162 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 64.3 111.115 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 73.45 111.114 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 75.13 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 70.41 110.93 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 73.14 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 111.126 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.53 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.03 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 74.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 64.12 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 74.43 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.155 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 53.03 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 75.31 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 72.24 111.111 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.13 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.34 112.352 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.47 171.28 47.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 64.53 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 m -85.96 -27.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 73.54 111.073 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.85 16.52 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.12 111.094 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -94.78 -30.95 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.64 167.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -117.85 168.98 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.194 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -27.71 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.11 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.06 -34.95 79.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.73 -30.54 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -56.93 -48.88 77.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.45 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.46 -27.0 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 72.43 110.924 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -58.37 -24.71 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.991 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.77 -46.93 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 75.01 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.35 -24.71 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.121 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.6 mm -70.36 -56.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.06 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.85 -25.99 59.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.894 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.48 37.17 58.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 72.33 112.491 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.62 160.81 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 71.23 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -87.82 134.8 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.946 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -130.02 140.64 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.087 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -82.71 149.55 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -116.91 130.1 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.858 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.88 178.24 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.172 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.12 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 55.44 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.31 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 74.52 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 74.41 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 75.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 74.44 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.147 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 71.05 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 75.23 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 75.23 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 73.51 111.12 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.95 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.12 111.157 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.51 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 74.13 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 73.03 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.09 129.12 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.934 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.885 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -62.45 142.6 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -51.92 146.13 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 75.34 110.856 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.9 pp -51.45 155.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.21 111.114 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 t -63.97 132.46 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 63.11 110.882 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.81 -54.85 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.883 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 98.5 11.05 49.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.14 112.487 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 74.13 110.928 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 65.44 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 132' ' ' VAL . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 61.54 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' A' ' 123' ' ' VAL . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 53.14 111.108 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.02 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 61.03 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.78 HG23 HG23 ' A' ' 64' ' ' VAL . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 53.03 111.119 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 71.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 63.04 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.489 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 64.41 111.091 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 63.33 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 53.13 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.754 ' HA ' HG23 ' A' ' 104' ' ' ILE . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 50.43 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 74.23 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 63.34 110.899 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD23 HG13 ' A' ' 48' ' ' ILE . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 95' ' ' LEU . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.21 111.077 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' VAL . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 HG23 ' A' ' 28' ' ' THR . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.32 112.313 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 62.55 112.538 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 63.51 111.102 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 64' ' ' VAL . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.868 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.14 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.667 ' HB2' HD22 ' A' ' 59' ' ' LEU . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 60' ' ' LEU . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 52.15 111.135 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 54.31 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 63.35 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 52.11 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 63.32 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 65.03 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 50' ' ' ILE . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.081 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 74.12 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 72.33 111.101 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.912 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.51 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.52 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 64.11 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 105' ' ' ILE . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.095 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 64.34 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.511 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 10' ' ' ILE . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.871 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.775 0.321 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.575 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 72.52 111.108 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 61.54 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 53.14 111.111 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 61.03 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.737 HG23 HG23 ' A' ' 64' ' ' VAL . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 53.03 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HG21 ' A' ' 64' ' ' VAL . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 71.22 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 71.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 64.41 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 63.33 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 53.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.779 ' HA ' HG23 ' A' ' 104' ' ' ILE . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.696 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 50.43 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 74.23 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.906 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' A' ' 54' ' ' VAL . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.737 HG23 HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.133 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.633 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.32 112.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 62.55 112.482 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 63.51 111.124 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.42 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.14 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' VAL . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 95' ' ' LEU . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 52.15 111.089 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 54.31 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 52.11 112.493 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 63.32 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 65.03 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 53' ' ' GLU . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.675 HD11 HD13 ' A' ' 60' ' ' LEU . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 127' ' ' VAL . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.161 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 54.43 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 74.12 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.412 HG13 ' HB2' ' A' ' 16' ' ' GLU . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 72.33 111.072 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.886 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.659 ' N ' HD13 ' A' ' 126' ' ' LEU . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 54.52 111.038 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 64.11 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.404 ' CG1' HD12 ' A' ' 105' ' ' ILE . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.092 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 10' ' ' ILE . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.805 0.336 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.701 HD13 HG12 ' A' ' 132' ' ' VAL . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 72.52 111.134 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 55.02 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 61.54 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 53.14 111.071 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 72.02 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 61.03 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.489 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 64' ' ' VAL . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 53.03 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.559 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 71.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 34' ' ' VAL . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 63.04 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.475 ' HB2' HG23 ' A' ' 48' ' ' ILE . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.608 HG13 HD23 ' A' ' 60' ' ' LEU . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 53.13 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.77 ' HA ' HG23 ' A' ' 104' ' ' ILE . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 50.43 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 74.23 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.885 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD23 HG13 ' A' ' 48' ' ' ILE . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.502 HG11 HD23 ' A' ' 95' ' ' LEU . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 71.21 111.126 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' NZ ' HG23 ' A' ' 65' ' ' THR . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.754 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.105 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.63 HG23 ' NZ ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.32 112.303 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 62.55 112.539 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.3 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 63.51 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.754 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 53.42 110.838 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.14 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.622 ' HB2' HD22 ' A' ' 59' ' ' LEU . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.621 ' CD1' HG23 ' A' ' 97' ' ' VAL . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' CD1' ' A' ' 95' ' ' LEU . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 52.15 111.13 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 54.31 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 52.11 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.32 112.486 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 65.03 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 60' ' ' LEU . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 54.43 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 55.14 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 62.43 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 126' ' ' LEU . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.12 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 16' ' ' GLU . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 72.33 111.091 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 54.52 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 10' ' ' ILE . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.907 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.728 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.52 111.144 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.084 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 72.02 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.04 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 61.03 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.78 HD11 ' HG3' ' A' ' 63' ' ' LYS . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 64' ' ' VAL . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 53.03 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 39' ' ' LEU . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 HG13 ' A' ' 34' ' ' VAL . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.766 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.918 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.11 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.766 HG23 ' HB2' ' A' ' 41' ' ' ASN . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 63.33 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 53.13 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HA ' HG23 ' A' ' 104' ' ' ILE . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.062 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 50.43 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 74.23 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 63.34 110.936 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.939 HD13 HD11 ' A' ' 105' ' ' ILE . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG11 HD23 ' A' ' 95' ' ' LEU . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.162 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.195 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.495 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.32 112.364 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.4 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 62.55 112.534 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 63.51 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 63.42 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.518 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.898 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 63' ' ' LYS . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.14 111.143 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.623 ' HB2' HD22 ' A' ' 59' ' ' LEU . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 97' ' ' VAL . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 52.15 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 54.31 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 63.35 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 52.11 112.406 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 65.03 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.771 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 54.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 55.14 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 123' ' ' VAL . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 74.12 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 120' ' ' PRO . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 72.33 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.878 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.54 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 54.52 111.157 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.533 ' HE ' HD11 ' A' ' 126' ' ' LEU . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.897 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 105' ' ' ILE . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.098 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 64.34 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.419 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.728 HG12 ' CD1' ' A' ' 10' ' ' ILE . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.888 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.873 0.368 . . . . 65.44 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.667 HD13 HG12 ' A' ' 132' ' ' VAL . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 55.02 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.838 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 53.14 111.164 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 62.04 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 61.03 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 64' ' ' VAL . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 53.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' HG21 ' A' ' 64' ' ' VAL . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.509 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 71.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.04 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.644 ' HB2' HG23 ' A' ' 48' ' ' ILE . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 64.12 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB2' ' A' ' 41' ' ' ASN . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 63.33 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 53.13 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.765 ' HA ' HG23 ' A' ' 104' ' ' ILE . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 60' ' ' LEU . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 72.42 111.136 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 74.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.34 110.94 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 105' ' ' ILE . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.611 HG21 HD23 ' A' ' 95' ' ' LEU . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.125 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 28' ' ' THR . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.32 112.244 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.4 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 62.55 112.521 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.715 0.293 . . . . 63.51 111.164 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.42 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.14 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.641 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.641 HG23 HD11 ' A' ' 95' ' ' LEU . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 52.15 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 54.31 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 52.11 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.482 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.523 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.03 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 60' ' ' LEU . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 127' ' ' VAL . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 127' ' ' VAL . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 72.31 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 126' ' ' LEU . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.562 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 74.12 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.562 ' CG1' HD23 ' A' ' 119' ' ' LEU . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 72.33 111.142 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 62.41 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.8 HG22 HG23 ' A' ' 110' ' ' VAL . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.52 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 105' ' ' ILE . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 10' ' ' ILE . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.887 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.758 0.313 . . . . 65.44 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 HG12 HG12 ' A' ' 132' ' ' VAL . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 72.52 111.157 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 10' ' ' ILE . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 61.54 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.572 ' OG ' HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 53.14 111.048 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 74.45 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 61.03 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 64' ' ' VAL . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 53.03 111.18 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.547 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.743 HG22 HG21 ' A' ' 34' ' ' VAL . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 31' ' ' ILE . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 39' ' ' LEU . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.04 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.685 ' HB2' HG23 ' A' ' 48' ' ' ILE . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.41 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 53.13 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 60' ' ' LEU . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.42 111.086 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 50.43 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 74.23 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 94' ' ' SER . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 63.34 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HG23 ' A' ' 54' ' ' VAL . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG21 HD21 ' A' ' 95' ' ' LEU . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 71.21 111.165 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.781 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 72.21 111.128 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.32 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 61.4 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.55 112.51 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.464 HG11 ' OD2' ' A' ' 30' ' ' ASP . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 63.51 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.781 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.42 110.873 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.14 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.629 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 52.15 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 54.31 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.486 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 63.32 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 65.03 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 60' ' ' LEU . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 54.43 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 55.14 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 74.12 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 72.33 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 62.41 110.941 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.468 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 54.52 111.125 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.507 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 71.52 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 105' ' ' ILE . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.677 HG12 HG12 ' A' ' 10' ' ' ILE . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.74 0.305 . . . . 65.44 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 132' ' ' VAL . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.08 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.02 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 61.54 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 123' ' ' VAL . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 53.14 111.102 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 72.02 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 61.03 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.658 HG23 HG23 ' A' ' 64' ' ' VAL . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 53.03 111.206 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 71.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 34' ' ' VAL . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.04 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.592 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.988 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 64.41 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 63.33 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 53.13 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 60' ' ' LEU . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.166 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 50.43 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 74.23 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD22 ' OG ' ' A' ' 94' ' ' SER . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 63.34 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.856 HD11 HG23 ' A' ' 54' ' ' VAL . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 95' ' ' LEU . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 92' ' ' ASP . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 72.21 111.134 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.432 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.32 112.342 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 61.4 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.55 112.529 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.785 0.326 . . . . 63.51 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 64' ' ' VAL . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 63.42 110.872 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 53.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.14 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.692 ' OG ' HD22 ' A' ' 59' ' ' LEU . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD11 HG23 ' A' ' 97' ' ' VAL . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 95' ' ' LEU . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 52.15 111.087 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 54.31 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 63.35 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 52.11 112.449 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 63.32 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.583 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 HG13 ' A' ' 129' ' ' VAL . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 127' ' ' VAL . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.31 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.48 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 55.14 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.43 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 74.12 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 72.33 111.16 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.588 ' N ' HD13 ' A' ' 126' ' ' LEU . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.079 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' A' ' 105' ' ' ILE . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.147 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.438 HG13 HD13 ' A' ' 105' ' ' ILE . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.43 HG12 HD13 ' A' ' 10' ' ' ILE . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.919 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 132' ' ' VAL . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.104 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.14 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 72.02 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.04 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 61.03 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.766 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 53.03 111.121 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' N ' HG21 ' A' ' 64' ' ' VAL . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 39' ' ' LEU . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 71.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.713 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.616 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HB2' HG23 ' A' ' 48' ' ' ILE . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 38' ' ' ALA . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 63.33 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 53.13 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.752 ' HA ' HG23 ' A' ' 104' ' ' ILE . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 HD11 ' A' ' 60' ' ' LEU . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 74.23 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.966 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD23 HG13 ' A' ' 48' ' ' ILE . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 95' ' ' LEU . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.21 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.766 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.175 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.32 112.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 61.4 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 62.55 112.504 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.721 0.296 . . . . 63.51 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 53.42 110.864 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.14 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.563 HD11 HG23 ' A' ' 97' ' ' VAL . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 95' ' ' LEU . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 52.15 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 54.31 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 63.35 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 52.11 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 63.32 112.487 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.752 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.527 HD12 ' CG1' ' A' ' 129' ' ' VAL . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.31 111.157 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 55.14 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 74.12 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 16' ' ' GLU . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 72.33 111.072 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.885 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.527 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.52 111.132 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.527 ' CG1' HD12 ' A' ' 105' ' ' ILE . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.408 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 10' ' ' ILE . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.936 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.758 ' CD1' HG12 ' A' ' 132' ' ' VAL . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.168 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.02 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD11 ' A' ' 95' ' ' LEU . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 61.54 110.951 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 53.14 111.094 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.04 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 61.03 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 ' HG2' ' A' ' 63' ' ' LYS . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 53.03 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 64' ' ' VAL . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.22 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 71.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.04 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 48' ' ' ILE . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 64.12 110.884 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 63.33 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 53.13 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.745 ' HA ' HG23 ' A' ' 104' ' ' ILE . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 50.43 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HG21 ' A' ' 97' ' ' VAL . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.23 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD22 ' CB ' ' A' ' 94' ' ' SER . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 63.34 110.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 97' ' ' VAL . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 27' ' ' ILE . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 72.21 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.791 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.32 112.359 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 62.55 112.414 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.801 0.334 . . . . 63.51 111.208 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 53.42 110.845 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.14 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.59 ' CB ' HD22 ' A' ' 59' ' ' LEU . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 13' ' ' TYR . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 60' ' ' LEU . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 52.15 111.145 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 54.31 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 63.35 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 52.11 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 63.32 112.508 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 65.03 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 53' ' ' GLU . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 129' ' ' VAL . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 55.14 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.43 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 126' ' ' LEU . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 74.12 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 16' ' ' GLU . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 72.33 111.101 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 54.52 111.127 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 71.52 111.08 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.483 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 10' ' ' ILE . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.968 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 65.44 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 132' ' ' VAL . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.52 111.127 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 61.54 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.521 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 53.14 111.074 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 62.04 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 61.03 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 64' ' ' VAL . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 53.03 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 64' ' ' VAL . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 34' ' ' VAL . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.634 HG21 HG22 ' A' ' 31' ' ' ILE . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 71.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 63.04 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.535 ' HB2' HG23 ' A' ' 48' ' ' ILE . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.759 HG13 HD23 ' A' ' 60' ' ' LEU . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 63.33 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 53.13 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.782 HG11 ' HA3' ' A' ' 101' ' ' GLY . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.42 111.131 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 74.23 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 94' ' ' SER . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.759 HD23 HG13 ' A' ' 48' ' ' ILE . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 71.21 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 27' ' ' ILE . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.054 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.768 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 62.55 112.526 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 63.51 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.747 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.93 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.14 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 59' ' ' LEU . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 97' ' ' VAL . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 95' ' ' LEU . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 52.15 111.119 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 54.31 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 63.35 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 52.11 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.782 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.504 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 65.03 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 131' ' ' ILE . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 127' ' ' VAL . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.31 111.121 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 54.43 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 55.14 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 74.12 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 16' ' ' GLU . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 72.33 111.126 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 110' ' ' VAL . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 54.52 111.157 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.499 ' CG1' HD12 ' A' ' 105' ' ' ILE . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 71.52 111.128 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.34 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 10' ' ' ILE . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.899 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 65.44 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 ' CD1' HG12 ' A' ' 132' ' ' VAL . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.176 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.02 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 61.54 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.141 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 65' ' ' THR . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.19 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 62.04 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 61.03 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 64' ' ' VAL . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 53.03 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB3' HG21 ' A' ' 64' ' ' VAL . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 34' ' ' VAL . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 39' ' ' LEU . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.708 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 64.12 110.91 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.11 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.423 ' HA2' HD21 ' A' ' 42' ' ' LEU . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.766 HG13 HD23 ' A' ' 60' ' ' LEU . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 64.41 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 63.33 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 53.13 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.788 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 50.43 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 74.23 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 63.34 110.886 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.766 HD23 HG13 ' A' ' 48' ' ' ILE . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.21 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.21 111.067 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 65' ' ' THR . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.32 112.34 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 62.55 112.478 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 63.51 111.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 63.42 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.741 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 53.42 110.873 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.14 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.525 ' CB ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' CD1' HG23 ' A' ' 97' ' ' VAL . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' CD1' ' A' ' 95' ' ' LEU . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 52.15 111.138 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 54.31 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 52.11 112.491 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 65.03 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 53' ' ' GLU . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.775 ' CD2' HG13 ' A' ' 132' ' ' VAL . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 127' ' ' VAL . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.117 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 54.43 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 55.14 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 62.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LEU . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.12 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 16' ' ' GLU . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 72.33 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 126' ' ' LEU . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 54.52 111.178 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.427 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 64.34 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.775 HG13 ' CD2' ' A' ' 106' ' ' HIS . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.951 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 65.44 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.734 HD13 HG12 ' A' ' 132' ' ' VAL . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.13 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.54 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.084 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.02 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.933 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.929 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 61.03 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.012 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' VAL . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.03 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 34' ' ' VAL . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.46 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 63.04 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 48' ' ' ILE . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.942 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.551 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.781 HG13 HD23 ' A' ' 60' ' ' LEU . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 63.33 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 53.13 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HA ' HG23 ' A' ' 104' ' ' ILE . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 HD11 ' A' ' 60' ' ' LEU . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 72.42 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 50.43 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 74.23 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.932 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 HG13 ' A' ' 48' ' ' ILE . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 71.21 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 64' ' ' VAL . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 72.21 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.32 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 61.4 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 62.55 112.496 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.863 0.363 . . . . 63.51 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.876 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.14 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.672 ' CB ' HD22 ' A' ' 59' ' ' LEU . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' CD2' HG23 ' A' ' 97' ' ' VAL . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 95' ' ' LEU . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 52.15 111.152 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 54.31 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 63.35 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 52.11 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.432 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 65.03 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 53' ' ' GLU . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 131' ' ' ILE . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.31 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 126' ' ' LEU . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 55.14 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 126' ' ' LEU . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 74.12 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 72.33 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.872 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.584 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 105' ' ' ILE . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.156 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.472 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 10' ' ' ILE . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.53 110.946 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.751 0.31 . . . . 65.44 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.651 HG12 HG12 ' A' ' 132' ' ' VAL . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.08 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.02 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' HD13 ' A' ' 131' ' ' ILE . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.54 110.926 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 95' ' ' LEU . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 53.14 111.026 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 61.03 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 64' ' ' VAL . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 53.03 111.074 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.782 HG22 HG21 ' A' ' 34' ' ' VAL . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.22 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 31' ' ' ILE . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 71.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 63.04 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 48' ' ' ILE . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.825 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.11 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 41' ' ' ASN . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 63.33 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 53.13 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.725 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.42 111.158 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.23 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 105' ' ' ILE . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 95' ' ' LEU . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' VAL . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.673 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.108 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.32 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 62.55 112.533 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 63.51 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.596 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.855 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.14 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.737 ' CB ' HD22 ' A' ' 59' ' ' LEU . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 97' ' ' VAL . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 95' ' ' LEU . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 52.15 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 54.31 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 52.11 112.446 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 65.03 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG23 ' HA ' ' A' ' 53' ' ' GLU . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.817 HD11 HD13 ' A' ' 60' ' ' LEU . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.089 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 114' ' ' GLU . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 54.43 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 55.14 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 74.12 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.511 ' CG1' HD23 ' A' ' 119' ' ' LEU . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 72.33 111.147 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 127' ' ' VAL . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 62.41 111.009 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.576 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.52 111.136 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 105' ' ' ILE . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 71.52 111.195 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.572 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.651 HG12 HG12 ' A' ' 10' ' ' ILE . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.935 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.757 0.313 . . . . 65.44 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.755 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.096 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 61.54 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 95' ' ' LEU . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 61' ' ' VAL . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB2' HG13 ' A' ' 123' ' ' VAL . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 53.14 111.141 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 61.03 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.691 HG23 HG23 ' A' ' 64' ' ' VAL . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 53.03 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' N ' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 71.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 63.04 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.6 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 60' ' ' LEU . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.33 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 53.13 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.751 HG23 HD11 ' A' ' 60' ' ' LEU . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.15 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 74.23 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.933 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.803 HD13 HD11 ' A' ' 105' ' ' ILE . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG11 ' OG ' ' A' ' 15' ' ' SER . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 71.21 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 HG23 ' A' ' 28' ' ' THR . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 72.21 111.124 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.32 112.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 61.4 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.55 112.515 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.455 HG11 ' OD2' ' A' ' 30' ' ' ASP . 5.7 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.51 111.117 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 64' ' ' VAL . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.14 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' GLU . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 52.15 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 54.31 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 52.11 112.543 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 63.32 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HA ' ' A' ' 53' ' ' GLU . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.803 HD11 HD13 ' A' ' 60' ' ' LEU . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.791 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.139 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 55.14 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 74.12 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 72.33 111.194 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 HG23 ' A' ' 110' ' ' VAL . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.093 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.456 ' CG1' HD12 ' A' ' 105' ' ' ILE . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.493 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.755 HG12 ' CD1' ' A' ' 10' ' ' ILE . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.887 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 65.44 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.661 HG12 HG12 ' A' ' 132' ' ' VAL . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.117 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 61.54 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB2' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 72.02 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 62.04 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 61.03 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.23 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.757 HG23 HG23 ' A' ' 64' ' ' VAL . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 53.03 111.087 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 HG21 ' A' ' 34' ' ' VAL . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 71.22 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.687 HG21 HG22 ' A' ' 31' ' ' ILE . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 36' ' ' GLU . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 63.04 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.803 ' HB2' HG23 ' A' ' 48' ' ' ILE . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.949 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 60' ' ' LEU . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.455 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 64.41 111.169 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 63.33 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 53.13 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.711 ' HA ' HG23 ' A' ' 104' ' ' ILE . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 103' ' ' GLY . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.115 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 50.43 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 74.23 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 31' ' ' ILE . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 63.34 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 105' ' ' ILE . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 HD23 ' A' ' 95' ' ' LEU . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.089 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.757 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.149 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.32 112.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 62.55 112.528 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 66' ' ' PRO . 6.6 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.809 0.338 . . . . 63.51 111.108 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.14 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.441 ' CB ' HD23 ' A' ' 59' ' ' LEU . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 97' ' ' VAL . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.608 HG23 HD11 ' A' ' 95' ' ' LEU . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 52.15 111.11 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 54.31 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 63.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 52.11 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 63.32 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 65.03 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.711 HG23 ' HA ' ' A' ' 53' ' ' GLU . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 60' ' ' LEU . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.455 ' HB ' HD11 ' A' ' 50' ' ' ILE . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 127' ' ' VAL . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.155 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 54.43 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 55.14 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 74.12 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 72.33 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 110' ' ' VAL . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 54.52 111.122 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 64.34 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.523 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.661 HG12 HG12 ' A' ' 10' ' ' ILE . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.922 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.761 0.315 . . . . 65.44 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.684 HG12 HG12 ' A' ' 132' ' ' VAL . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 55.02 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.946 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 53.14 111.122 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.02 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 74.45 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 61.03 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.946 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.514 HG23 HG23 ' A' ' 64' ' ' VAL . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 53.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.569 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.646 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 60' ' ' LEU . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 41' ' ' ASN . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 108' ' ' VAL . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 53.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.79 ' HA ' HG23 ' A' ' 104' ' ' ILE . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.638 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 72.42 111.143 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 50.43 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.922 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 105' ' ' ILE . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 95' ' ' LEU . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.059 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 93' ' ' THR . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 72.21 111.133 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.32 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 61.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 62.55 112.478 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 30' ' ' ASP . 5.1 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.36 . . . . 63.51 111.099 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.651 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 53.42 110.872 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 63' ' ' LYS . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.14 111.121 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 96' ' ' ARG . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.58 ' N ' HD23 ' A' ' 95' ' ' LEU . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 52.15 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 54.31 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.35 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 52.11 112.424 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.32 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.03 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 60' ' ' LEU . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.426 ' HB ' HD11 ' A' ' 50' ' ' ILE . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.31 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' HD12 ' A' ' 126' ' ' LEU . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.43 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 55.14 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 62.43 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 74.12 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 62.41 110.886 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 54.52 111.165 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 64.11 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.058 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.34 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.684 HG12 HG12 ' A' ' 10' ' ' ILE . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.902 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 65.44 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.742 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.084 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 55.02 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 53.14 111.121 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.04 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 61.03 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 53.03 111.139 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' N ' HG21 ' A' ' 64' ' ' VAL . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 63.04 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.744 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 64.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 60' ' ' LEU . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.744 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.082 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 63.33 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 53.13 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.713 ' HA ' HG23 ' A' ' 104' ' ' ILE . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.742 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.108 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 50.43 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 74.23 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.638 HD13 ' CB ' ' A' ' 94' ' ' SER . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 105' ' ' ILE . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 95' ' ' LEU . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.157 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.203 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.776 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.32 112.415 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 61.4 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 62.55 112.489 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 63.51 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 53.42 110.917 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.638 ' CB ' HD13 ' A' ' 59' ' ' LEU . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 97' ' ' VAL . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 52.15 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 54.31 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 63.35 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 52.11 112.457 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 65.03 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.713 HG23 ' HA ' ' A' ' 53' ' ' GLU . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.839 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HB ' HD11 ' A' ' 50' ' ' ILE . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.787 HG23 HG22 ' A' ' 127' ' ' VAL . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 54.43 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 126' ' ' LEU . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 74.12 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 72.33 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 62.41 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.787 HG22 HG23 ' A' ' 110' ' ' VAL . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.106 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.34 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.454 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 10' ' ' ILE . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.911 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 65.44 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 132' ' ' VAL . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 55.02 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 61.54 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 53.14 111.1 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.02 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.45 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 61.03 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.559 HD11 ' HG3' ' A' ' 63' ' ' LYS . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG23 ' A' ' 64' ' ' VAL . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 53.03 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.562 ' N ' HG21 ' A' ' 64' ' ' VAL . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 63.04 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 48' ' ' ILE . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 64.12 110.945 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.509 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 60' ' ' LEU . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 63.33 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 53.13 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.792 ' HA ' HG23 ' A' ' 104' ' ' ILE . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 101' ' ' GLY . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.184 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 50.43 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 74.23 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 63.34 110.869 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 HD23 ' A' ' 95' ' ' LEU . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.21 111.173 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.722 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.09 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.32 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.4 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.493 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 30' ' ' ASP . 17.4 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.885 0.374 . . . . 63.51 111.134 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 63.42 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.645 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.14 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD11 HG23 ' A' ' 97' ' ' VAL . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 52.15 111.173 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 54.31 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 63.35 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 52.11 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 65.03 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HA ' ' A' ' 53' ' ' GLU . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 60' ' ' LEU . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 55.14 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 126' ' ' LEU . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 74.12 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 16' ' ' GLU . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 72.33 111.144 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 54.52 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.666 HG12 HD13 ' A' ' 10' ' ' ILE . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.983 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 65.44 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 132' ' ' VAL . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.52 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 55.02 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.115 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' THR . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.02 111.153 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 62.04 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 61.03 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 53.03 111.168 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 71.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.04 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB2' HG23 ' A' ' 48' ' ' ILE . 26.6 m120 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.565 HG23 ' HB2' ' A' ' 41' ' ' ASN . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 63.33 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 53.13 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.778 ' HA ' HG23 ' A' ' 104' ' ' ILE . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.642 ' CG2' HG11 ' A' ' 97' ' ' VAL . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.171 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 50.43 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 74.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 105' ' ' ILE . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 71.21 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.32 112.367 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 62.55 112.491 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.8 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.812 0.339 . . . . 63.51 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.744 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.897 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.509 HG23 ' HD3' ' A' ' 63' ' ' LYS . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.14 111.164 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.642 HG11 ' CG2' ' A' ' 54' ' ' VAL . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 52.15 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 54.31 112.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 52.11 112.505 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 63.32 112.487 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 65.03 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.701 HD11 HD13 ' A' ' 60' ' ' LEU . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.903 HG23 HG22 ' A' ' 127' ' ' VAL . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.18 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 55.14 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 74.12 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 16' ' ' GLU . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 72.33 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 110' ' ' VAL . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 54.52 111.163 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.401 ' CG1' HD12 ' A' ' 105' ' ' ILE . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 10' ' ' ILE . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 65.44 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 132' ' ' VAL . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.884 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 53.14 111.115 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.114 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 62.04 110.93 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 61.03 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.884 HD12 ' HB2' ' A' ' 17' ' ' ALA . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.74 HG23 HG23 ' A' ' 64' ' ' VAL . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.03 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 64' ' ' VAL . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG22 ' HB ' ' A' ' 34' ' ' VAL . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 71.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 63.04 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.762 HG13 HD23 ' A' ' 60' ' ' LEU . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 63.33 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 53.13 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 104' ' ' ILE . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.42 111.155 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 50.43 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 74.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 95' ' ' LEU . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.978 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.762 HD23 HG13 ' A' ' 48' ' ' ILE . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 95' ' ' LEU . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.21 111.111 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.74 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.13 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.719 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.32 112.352 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 62.55 112.507 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.4 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.318 . . . . 63.51 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.724 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.861 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.14 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 59' ' ' LEU . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 52.15 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 54.31 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.35 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 52.11 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 63.32 112.499 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 110' ' ' VAL . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 72.31 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 123' ' ' VAL . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 74.12 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.33 111.12 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.95 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.52 111.157 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.52 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 10' ' ' ILE . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.934 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 63.21 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 6' ' ' THR . 7.4 p -142.11 145.8 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 45.01 111.124 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -89.7 92.87 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 71.45 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 HG13 ' A' ' 4' ' ' VAL . 3.1 t -164.61 137.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 73.5 111.141 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.17 -174.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.889 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -97.75 135.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 55.43 111.166 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -82.33 159.43 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.824 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 132' ' ' VAL . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 61.54 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' A' ' 123' ' ' VAL . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 53.14 111.108 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.02 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 61.03 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.78 HG23 HG23 ' A' ' 64' ' ' VAL . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 53.03 111.119 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 71.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 63.04 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.489 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 64.41 111.091 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 63.33 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 53.13 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.754 ' HA ' HG23 ' A' ' 104' ' ' ILE . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 50.43 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 74.23 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 63.34 110.899 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD23 HG13 ' A' ' 48' ' ' ILE . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 95' ' ' LEU . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.21 111.077 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' VAL . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 HG23 ' A' ' 28' ' ' THR . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.32 112.313 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.6 -170.17 43.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 62.55 112.538 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.32 -53.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 70.31 111.145 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -66.33 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.187 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -53.2 -30.56 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 72.01 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.16 164.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 60.42 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -111.55 165.8 11.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.145 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.84 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.11 111.083 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.14 -35.46 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.909 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -70.94 -31.68 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 72.21 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -63.93 -48.97 74.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.71 -26.05 59.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.675 HD12 ' HB ' ' A' ' 82' ' ' ILE . 19.3 tp -60.33 -22.25 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -56.17 -42.54 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.829 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.58 -22.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.02 111.109 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.675 ' HB ' HD12 ' A' ' 79' ' ' LEU . 24.6 mm -75.21 -50.68 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.46 -25.91 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.52 -19.78 51.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 34.15 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -148.82 138.25 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.366 . . . . 71.23 110.898 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.47 157.86 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.886 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.53 133.39 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 63.11 111.067 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.38 134.51 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -115.8 133.15 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.911 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.6 m -131.99 177.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.51 111.102 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 64' ' ' VAL . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.868 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.14 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.667 ' HB2' HD22 ' A' ' 59' ' ' LEU . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 60' ' ' LEU . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 52.15 111.135 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 54.31 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 63.35 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 52.11 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 63.32 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 65.03 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 50' ' ' ILE . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.081 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 74.12 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 72.33 111.101 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.912 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.51 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.52 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 64.11 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 105' ' ' ILE . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.095 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 64.34 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.511 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 10' ' ' ILE . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -73.47 126.57 30.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.871 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -107.29 130.13 54.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -140.48 134.36 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.862 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -133.34 146.17 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.43 169.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 52.43 111.083 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -92.63 128.47 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 33.3 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.14 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.904 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.03 -21.06 7.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 65.11 112.485 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.325 . . . . 74.13 110.821 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.514 ' N ' ' HG ' ' A' ' 138' ' ' SER . 81.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.342 . . . . 63.21 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.41 130.03 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 45.01 111.061 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -61.66 144.51 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -138.9 159.09 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.5 111.138 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.31 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 74.54 110.851 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.3 mp -95.86 125.24 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 55.43 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -83.02 159.29 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.575 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 72.52 111.108 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 61.54 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 53.14 111.111 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 61.03 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.737 HG23 HG23 ' A' ' 64' ' ' VAL . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 53.03 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HG21 ' A' ' 64' ' ' VAL . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 71.22 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 71.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 64.41 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 63.33 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 53.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.779 ' HA ' HG23 ' A' ' 104' ' ' ILE . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.696 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 50.43 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 74.23 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.906 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' A' ' 54' ' ' VAL . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.737 HG23 HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.133 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.633 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.32 112.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.56 153.08 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 62.55 112.482 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 t -73.23 -25.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 70.31 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -24.16 60.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 74.35 111.219 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.12 37.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -98.33 172.14 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 60.42 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -102.24 161.14 13.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.121 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.96 -33.75 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 64.11 111.036 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 mt-10 -57.05 -45.18 83.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.924 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.46 -29.73 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 72.21 110.939 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -65.4 -49.11 70.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.905 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -78.9 -21.62 47.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 75' ' ' GLU . 2.1 mm? -73.12 -23.53 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.924 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -58.04 -44.86 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.01 110.849 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 -23.84 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 71.02 111.071 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.7 mm -71.03 -57.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -75.0 -25.85 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.02 29.71 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 34.15 112.479 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -173.07 122.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 71.23 110.9 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.43 143.88 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.866 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.92 137.36 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.11 111.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -76.18 140.5 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 72.01 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.05 156.78 26.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.918 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.8 m -131.87 176.95 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 63.51 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.42 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.14 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' VAL . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 95' ' ' LEU . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 52.15 111.089 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 54.31 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 52.11 112.493 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 63.32 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 65.03 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 53' ' ' GLU . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.675 HD11 HD13 ' A' ' 60' ' ' LEU . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 127' ' ' VAL . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.161 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 54.43 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 74.12 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.412 HG13 ' HB2' ' A' ' 16' ' ' GLU . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 72.33 111.072 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.886 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.659 ' N ' HD13 ' A' ' 126' ' ' LEU . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 54.52 111.038 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 64.11 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.404 ' CG1' HD12 ' A' ' 105' ' ' ILE . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.092 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 10' ' ' ILE . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.738 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.83 141.83 53.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.922 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -96.45 157.57 15.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 55.02 110.938 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.547 ' NH1' HD11 ' A' ' 8' ' ' ILE . 16.6 mmt-85 -52.21 138.36 26.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.9 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 146.16 50.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.454 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.36 152.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 52.43 111.14 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.514 ' HG ' ' N ' ' A' ' 3' ' ' ASP . 3.6 t -62.66 115.8 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 33.3 110.859 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.54 -60.33 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.858 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.33 32.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.712 -0.756 . . . . 65.11 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 74.13 110.806 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.794 0.33 . . . . 63.21 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.21 136.03 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 45.01 111.087 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -108.09 135.4 49.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -113.14 -175.68 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.14 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -177.16 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.54 110.845 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.52 125.92 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 55.43 111.156 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -123.45 159.21 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 65.44 110.841 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.701 HD13 HG12 ' A' ' 132' ' ' VAL . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 72.52 111.134 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 55.02 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 61.54 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 53.14 111.071 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 72.02 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 61.03 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.489 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 64' ' ' VAL . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 53.03 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.559 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 71.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 34' ' ' VAL . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 63.04 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.475 ' HB2' HG23 ' A' ' 48' ' ' ILE . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.608 HG13 HD23 ' A' ' 60' ' ' LEU . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 53.13 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.77 ' HA ' HG23 ' A' ' 104' ' ' ILE . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 50.43 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 74.23 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.885 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD23 HG13 ' A' ' 48' ' ' ILE . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.502 HG11 HD23 ' A' ' 95' ' ' LEU . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 71.21 111.126 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' NZ ' HG23 ' A' ' 65' ' ' THR . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.754 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.105 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.63 HG23 ' NZ ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.32 112.303 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.22 152.4 19.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 62.55 112.539 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.19 -28.47 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 70.31 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.35 111.048 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.52 -31.0 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -53.35 151.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 60.42 110.962 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 p -110.5 164.73 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 73.31 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.37 62.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 64.11 111.106 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.19 -35.29 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.844 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -79.41 -42.86 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.867 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -52.47 -48.1 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.37 -28.15 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.921 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 78' ' ' LEU . 11.9 tp -58.8 -25.41 63.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.993 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.36 -44.02 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 75.01 110.87 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.9 -24.91 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.113 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.1 -59.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.176 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.06 -26.04 59.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 72.31 110.816 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.6 31.58 81.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 34.15 112.513 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -150.29 133.95 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 71.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -55.74 125.41 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.963 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.1 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.091 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.35 155.08 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.813 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.99 142.32 47.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.931 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.3 m -136.8 179.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 63.51 111.12 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.754 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 53.42 110.838 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.14 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.622 ' HB2' HD22 ' A' ' 59' ' ' LEU . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.621 ' CD1' HG23 ' A' ' 97' ' ' VAL . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' CD1' ' A' ' 95' ' ' LEU . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 52.15 111.13 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 54.31 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 52.11 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.32 112.486 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 65.03 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 60' ' ' LEU . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 54.43 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 55.14 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 62.43 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 126' ' ' LEU . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.12 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 16' ' ' GLU . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 72.33 111.091 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 54.52 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 10' ' ' ILE . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -94.17 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.907 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -118.47 157.22 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 55.02 110.911 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -136.99 141.22 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -94.78 144.91 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.926 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.41 154.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.8 t -61.25 121.46 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 33.3 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -111.22 55.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 110.77 -21.52 23.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 65.11 112.52 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 74.13 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 63.21 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -122.54 144.39 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 45.01 111.149 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -134.97 157.55 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.932 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.542 HG21 ' HE3' ' A' ' 136' ' ' LYS . 1.9 t -57.83 158.48 6.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 73.5 111.15 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.34 -175.99 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.862 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 135' ' ' ARG . 4.5 mp -92.23 134.23 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 55.43 111.067 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -121.18 159.21 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.845 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.728 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.52 111.144 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.084 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 72.02 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.04 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 61.03 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.78 HD11 ' HG3' ' A' ' 63' ' ' LYS . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 64' ' ' VAL . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 53.03 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 39' ' ' LEU . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 HG13 ' A' ' 34' ' ' VAL . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.766 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.918 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.11 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.766 HG23 ' HB2' ' A' ' 41' ' ' ASN . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 63.33 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 53.13 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HA ' HG23 ' A' ' 104' ' ' ILE . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.062 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 50.43 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 74.23 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 63.34 110.936 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.939 HD13 HD11 ' A' ' 105' ' ' ILE . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG11 HD23 ' A' ' 95' ' ' LEU . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.162 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.195 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.495 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.32 112.364 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.4 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 157.71 18.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 62.55 112.534 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.54 -33.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 70.31 111.146 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -65.08 -28.18 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.077 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.26 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.817 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 76' ' ' GLU . 9.4 tp -100.22 165.92 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 60.42 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -97.08 154.33 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.088 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -31.78 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.11 111.077 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.78 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 72' ' ' LEU . 51.1 mm-40 -65.6 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.849 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -69.84 -49.1 55.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.55 -27.3 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.28 -25.49 67.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.975 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -59.14 -42.95 91.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.828 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.75 -24.91 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.02 111.082 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.07 -58.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.107 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.45 -25.97 54.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.865 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.16 37.96 87.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 34.15 112.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -168.05 138.55 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 71.23 110.926 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.63 129.31 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.82 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.25 155.91 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.084 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -104.69 138.27 41.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -115.2 137.59 51.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.919 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 m -131.75 174.92 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 63.51 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 63.42 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.518 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.898 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 63' ' ' LYS . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.14 111.143 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.623 ' HB2' HD22 ' A' ' 59' ' ' LEU . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 97' ' ' VAL . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 52.15 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 54.31 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 63.35 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 52.11 112.406 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 65.03 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.771 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 54.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 55.14 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 123' ' ' VAL . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 74.12 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 120' ' ' PRO . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 72.33 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.878 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.54 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 54.52 111.157 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.533 ' HE ' HD11 ' A' ' 126' ' ' LEU . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.897 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 105' ' ' ILE . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.098 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 64.34 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.419 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.728 HG12 ' CD1' ' A' ' 10' ' ' ILE . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.7 114.01 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.888 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 157.43 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 55.02 110.85 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.416 ' HD2' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -64.67 122.48 16.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.916 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.542 ' HE3' HG21 ' A' ' 6' ' ' THR . 11.1 pttp -116.6 146.28 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.856 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' A' ' 141' ' ' ASP . 2.9 pp -51.42 166.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 52.43 111.165 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.7 p -52.07 123.38 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 33.3 110.818 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -55.5 150.69 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.951 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.07 -24.63 31.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 65.11 112.461 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 74.13 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 63.21 110.87 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 145.16 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 45.01 111.102 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -108.21 95.09 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -59.36 159.06 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.5 111.21 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -102.27 -175.06 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -86.84 130.66 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 55.43 111.126 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -106.68 159.18 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 65.44 110.778 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.667 HD13 HG12 ' A' ' 132' ' ' VAL . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 55.02 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.838 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 53.14 111.164 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 62.04 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 61.03 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 64' ' ' VAL . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 53.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' HG21 ' A' ' 64' ' ' VAL . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.509 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 71.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.04 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.644 ' HB2' HG23 ' A' ' 48' ' ' ILE . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 64.12 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB2' ' A' ' 41' ' ' ASN . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 63.33 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 53.13 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.765 ' HA ' HG23 ' A' ' 104' ' ' ILE . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 60' ' ' LEU . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 72.42 111.136 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 74.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.34 110.94 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 105' ' ' ILE . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.611 HG21 HD23 ' A' ' 95' ' ' LEU . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.125 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 28' ' ' THR . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.32 112.244 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.4 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.14 175.18 29.43 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 62.55 112.521 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.63 -24.47 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 70.31 111.112 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -53.9 -28.29 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 74.35 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -123.71 62.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.892 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' OE1' ' A' ' 89' ' ' GLU . 8.3 tp -108.16 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 60.42 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.0 p -93.69 160.16 14.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.208 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 64.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.84 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.57 -30.71 57.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -62.56 -48.98 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.45 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -69.78 -27.71 65.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 78' ' ' LEU . 2.5 tp -58.71 -24.49 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.87 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.5 -46.82 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 75.01 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.63 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 71.02 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.24 -55.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.156 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -75.0 -25.92 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.869 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.11 30.42 67.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 34.15 112.518 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -175.31 149.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 71.23 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 145.19 40.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.883 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.07 156.6 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.029 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 150.03 42.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.883 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' OE1' HD11 ' A' ' 72' ' ' LEU . 15.9 mm-40 -113.34 154.21 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t -144.15 155.08 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.164 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.42 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.14 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.641 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.641 HG23 HD11 ' A' ' 95' ' ' LEU . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 52.15 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 54.31 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 52.11 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.482 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.523 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.03 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 60' ' ' LEU . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 127' ' ' VAL . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 127' ' ' VAL . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 72.31 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 126' ' ' LEU . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.562 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 74.12 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.562 ' CG1' HD23 ' A' ' 119' ' ' LEU . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 72.33 111.142 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 62.41 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.8 HG22 HG23 ' A' ' 110' ' ' VAL . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.52 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 105' ' ' ILE . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 10' ' ' ILE . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -89.75 113.94 25.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.887 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -88.38 140.9 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.903 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -58.12 162.45 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.865 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -116.73 146.3 42.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.92 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.42 151.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 52.43 111.17 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.5 t -59.71 129.15 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 33.3 110.882 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.68 -34.12 46.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.17 38.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 65.11 112.459 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 74.13 110.93 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.357 . . . . 63.21 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.28 147.78 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 45.01 111.141 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.14 113.45 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.852 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -127.86 -174.95 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.123 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -174.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.89 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.71 112.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 55.43 111.058 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -158.12 159.19 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.798 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 HG12 HG12 ' A' ' 132' ' ' VAL . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 72.52 111.157 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 10' ' ' ILE . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 61.54 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.572 ' OG ' HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 53.14 111.048 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 74.45 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 61.03 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 64' ' ' VAL . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 53.03 111.18 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.547 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.743 HG22 HG21 ' A' ' 34' ' ' VAL . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 31' ' ' ILE . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 39' ' ' LEU . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.04 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.685 ' HB2' HG23 ' A' ' 48' ' ' ILE . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.41 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 53.13 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 60' ' ' LEU . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.42 111.086 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 50.43 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 74.23 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 94' ' ' SER . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 63.34 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HG23 ' A' ' 54' ' ' VAL . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG21 HD21 ' A' ' 95' ' ' LEU . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 71.21 111.165 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.781 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 72.21 111.128 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.32 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 61.4 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.95 168.9 53.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.55 112.51 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.56 -24.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 70.31 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -71.79 -30.48 65.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.178 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -103.42 48.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD21 ' CD ' ' A' ' 89' ' ' GLU . 36.2 mt -86.75 166.35 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 60.42 110.845 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.2 p -95.37 172.44 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.181 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -66.23 -27.15 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.154 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -77.52 -34.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -79.24 -47.56 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.895 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -52.01 -34.37 42.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 75.45 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.3 -26.0 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD12 HD12 ' A' ' 82' ' ' ILE . 6.4 tp -56.84 -35.22 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.915 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -56.3 -28.2 58.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.837 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.41 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.02 111.144 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 79' ' ' LEU . 17.6 mt -75.82 -60.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.14 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.08 -26.07 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.822 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.22 69.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 34.15 112.509 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -139.02 161.65 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 71.23 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -82.37 108.14 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 71.34 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.08 145.66 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 63.11 111.158 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -84.81 137.79 32.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.527 ' CD ' HD21 ' A' ' 72' ' ' LEU . 28.0 mp0 -107.98 148.16 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.873 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.464 HG11 ' OD2' ' A' ' 30' ' ' ASP . 7.3 p -139.41 156.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 63.51 111.101 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.781 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.42 110.873 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.14 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.629 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 52.15 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 54.31 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.486 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 63.32 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 65.03 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 60' ' ' LEU . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 54.43 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 55.14 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 74.12 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 72.33 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 62.41 110.941 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.468 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 54.52 111.125 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.507 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 71.52 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 105' ' ' ILE . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.677 HG12 HG12 ' A' ' 10' ' ' ILE . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.76 113.99 26.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 157.47 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 55.02 110.864 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -142.01 169.05 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.825 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -105.06 146.44 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.866 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.46 169.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 52.43 111.132 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.0 t -93.93 117.06 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 33.3 110.858 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.28 167.7 19.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.98 11.0 21.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 65.11 112.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 74.13 110.88 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 63.21 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.25 144.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 45.01 111.162 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -87.32 143.66 27.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.942 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -73.68 -175.3 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.5 111.124 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 -173.0 2.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.88 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.27 156.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 55.43 111.12 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -106.61 159.26 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.85 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 132' ' ' VAL . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.08 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.02 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 61.54 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 123' ' ' VAL . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 53.14 111.102 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 72.02 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 61.03 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.658 HG23 HG23 ' A' ' 64' ' ' VAL . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 53.03 111.206 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 71.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 34' ' ' VAL . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.04 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.592 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.988 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 64.41 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 63.33 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 53.13 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 60' ' ' LEU . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.166 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 50.43 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 74.23 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD22 ' OG ' ' A' ' 94' ' ' SER . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 63.34 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.856 HD11 HG23 ' A' ' 54' ' ' VAL . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 95' ' ' LEU . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 92' ' ' ASP . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 72.21 111.134 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.432 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.32 112.342 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 61.4 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.67 128.11 38.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.55 112.529 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -75.96 -29.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 70.31 111.096 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.71 -24.99 56.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.35 111.152 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -99.46 39.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 76' ' ' GLU . 31.8 mt -82.06 172.08 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 60.42 110.912 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -96.07 177.23 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 73.31 111.149 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -65.58 -27.0 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.11 111.096 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -34.46 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -79.25 -47.58 15.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.93 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -52.03 -34.28 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.878 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.32 -26.14 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.905 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.77 -25.66 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -58.71 -43.71 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.822 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.08 -24.98 65.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 71.02 111.129 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.37 -59.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.175 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.09 -25.97 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.826 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 38.41 86.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 34.15 112.483 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.31 146.45 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 71.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -74.17 124.25 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 71.34 110.942 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.48 171.42 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.11 111.082 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -103.6 145.83 29.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 72.01 110.816 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -116.3 143.4 45.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.914 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m -136.29 179.65 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 63.51 111.182 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 64' ' ' VAL . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 63.42 110.872 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 53.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.14 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.692 ' OG ' HD22 ' A' ' 59' ' ' LEU . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD11 HG23 ' A' ' 97' ' ' VAL . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 95' ' ' LEU . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 52.15 111.087 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 54.31 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 63.35 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 52.11 112.449 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 63.32 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.583 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 HG13 ' A' ' 129' ' ' VAL . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 127' ' ' VAL . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.31 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.48 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 55.14 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.43 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 74.12 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 72.33 111.16 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.588 ' N ' HD13 ' A' ' 126' ' ' LEU . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.079 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' A' ' 105' ' ' ILE . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.147 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.438 HG13 HD13 ' A' ' 105' ' ' ILE . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.43 HG12 HD13 ' A' ' 10' ' ' ILE . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.09 123.3 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 138.44 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 55.02 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -55.52 164.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.957 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -140.34 144.74 36.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.973 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.33 166.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 52.43 111.162 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -78.59 110.1 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 33.3 110.821 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -112.67 147.56 36.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.55 -22.07 27.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.78 . . . . 65.11 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 74.13 110.887 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 63.21 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.65 145.89 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 45.01 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -125.07 80.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.905 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 p -140.85 -178.09 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.118 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -173.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.843 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.83 156.34 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 55.43 111.185 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -154.16 159.37 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 65.44 110.865 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 132' ' ' VAL . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.104 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.14 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 72.02 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.04 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 61.03 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.766 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 53.03 111.121 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' N ' HG21 ' A' ' 64' ' ' VAL . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 39' ' ' LEU . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 71.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.713 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.616 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HB2' HG23 ' A' ' 48' ' ' ILE . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 38' ' ' ALA . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 63.33 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 53.13 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.752 ' HA ' HG23 ' A' ' 104' ' ' ILE . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 HD11 ' A' ' 60' ' ' LEU . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 74.23 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.966 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD23 HG13 ' A' ' 48' ' ' ILE . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 95' ' ' LEU . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.21 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.766 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.175 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.32 112.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 61.4 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.71 -159.63 7.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 62.55 112.504 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.78 -41.08 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 70.31 111.059 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -25.6 59.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.154 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.34 -32.68 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.01 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' OE1' ' A' ' 76' ' ' GLU . 61.7 mt -52.42 169.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -119.48 168.04 11.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.121 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.28 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.089 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.1 -37.17 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' OE1' HD22 ' A' ' 72' ' ' LEU . 52.5 mt-10 -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.912 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -60.05 -48.87 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.893 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.6 pp -82.8 -27.34 31.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.807 HD12 HD12 ' A' ' 82' ' ' ILE . 28.1 tp -57.63 -25.73 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.922 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -55.02 -33.99 63.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.866 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.32 -23.54 57.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 71.02 111.075 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.807 HD12 HD12 ' A' ' 79' ' ' LEU . 21.2 mt -77.65 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.113 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -25.71 57.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.47 25.44 70.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 34.15 112.533 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.88 160.13 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 71.23 110.87 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.14 134.35 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 71.34 110.937 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.29 127.66 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.11 111.047 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -59.4 134.59 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -117.03 132.02 56.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m -137.11 178.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 63.51 111.145 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 53.42 110.864 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.14 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.563 HD11 HG23 ' A' ' 97' ' ' VAL . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 95' ' ' LEU . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 52.15 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 54.31 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 63.35 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 52.11 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 63.32 112.487 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.752 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.527 HD12 ' CG1' ' A' ' 129' ' ' VAL . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.31 111.157 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 55.14 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 74.12 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 16' ' ' GLU . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 72.33 111.072 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.885 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.527 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.52 111.132 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.527 ' CG1' HD12 ' A' ' 105' ' ' ILE . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.408 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 10' ' ' ILE . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.936 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.46 158.0 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 55.02 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -93.63 138.46 31.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.865 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.35 156.88 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 75.34 110.881 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.424 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.2 pp -126.36 168.53 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 52.43 111.133 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t -52.29 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 33.3 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -74.66 -74.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.36 11.13 57.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.833 -0.699 . . . . 65.11 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 74.13 110.875 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.812 0.339 . . . . 63.21 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 t -141.26 148.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 45.01 111.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -103.94 87.23 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.95 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -58.57 146.18 36.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 73.5 111.133 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.09 -174.35 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.837 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.51 123.86 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 55.43 111.136 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -102.97 159.23 15.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 65.44 110.841 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.758 ' CD1' HG12 ' A' ' 132' ' ' VAL . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.168 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.02 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD11 ' A' ' 95' ' ' LEU . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 61.54 110.951 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 53.14 111.094 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.04 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 61.03 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 ' HG2' ' A' ' 63' ' ' LYS . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 53.03 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 64' ' ' VAL . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.22 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 71.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.04 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 48' ' ' ILE . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 64.12 110.884 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 63.33 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 53.13 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.745 ' HA ' HG23 ' A' ' 104' ' ' ILE . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 50.43 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HG21 ' A' ' 97' ' ' VAL . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.23 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD22 ' CB ' ' A' ' 94' ' ' SER . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 63.34 110.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 97' ' ' VAL . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 27' ' ' ILE . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 72.21 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.791 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.32 112.359 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.61 154.71 16.72 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 62.55 112.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.02 -26.79 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 70.31 111.152 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -69.67 -24.37 63.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.35 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -95.87 32.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 72.01 110.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD21 ' CD ' ' A' ' 89' ' ' GLU . 32.4 mt -99.37 172.02 7.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 60.42 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -105.86 175.88 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 111.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -65.34 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.11 111.072 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.68 -34.4 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.865 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.38 -47.51 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -52.03 -34.28 42.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.859 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.41 -27.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.916 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -56.2 -26.04 49.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.28 -41.72 98.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.21 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.162 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.08 -57.74 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.111 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.99 -25.89 59.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.52 68.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 34.15 112.481 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -152.9 139.68 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 71.23 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.96 139.28 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.894 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.87 172.91 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.11 111.083 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -113.01 115.85 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.581 ' CD ' HD21 ' A' ' 72' ' ' LEU . 10.4 pt-20 -116.92 131.86 56.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.883 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.0 m -134.56 178.28 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.208 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 53.42 110.845 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.14 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.59 ' CB ' HD22 ' A' ' 59' ' ' LEU . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 13' ' ' TYR . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 60' ' ' LEU . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 52.15 111.145 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 54.31 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 63.35 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 52.11 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 63.32 112.508 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 65.03 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 53' ' ' GLU . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 129' ' ' VAL . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 55.14 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.43 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 126' ' ' LEU . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 74.12 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 16' ' ' GLU . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 72.33 111.101 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 54.52 111.127 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 71.52 111.08 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.483 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 10' ' ' ILE . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -83.98 119.26 24.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.968 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -81.03 152.11 28.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 55.02 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -70.38 161.55 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -119.41 144.73 46.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.37 168.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 52.43 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 t -87.31 81.52 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 33.3 110.915 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.61 156.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.824 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.91 -21.86 19.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.799 -0.715 . . . . 65.11 112.531 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 74.13 110.898 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.868 0.366 . . . . 63.21 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.51 146.96 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 45.01 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -109.46 155.81 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.923 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -130.74 -175.11 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.089 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -175.11 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.881 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.6 mp -91.6 125.38 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 55.43 111.147 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -159.33 159.28 33.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.944 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 132' ' ' VAL . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.52 111.127 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 61.54 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 53.14 111.074 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 62.04 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 61.03 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 64' ' ' VAL . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 53.03 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 64' ' ' VAL . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 34' ' ' VAL . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.634 HG21 HG22 ' A' ' 31' ' ' ILE . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 71.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 63.04 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.535 ' HB2' HG23 ' A' ' 48' ' ' ILE . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.759 HG13 HD23 ' A' ' 60' ' ' LEU . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 63.33 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 53.13 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.782 HG11 ' HA3' ' A' ' 101' ' ' GLY . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.42 111.131 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 74.23 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 94' ' ' SER . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.759 HD23 HG13 ' A' ' 48' ' ' ILE . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 71.21 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 27' ' ' ILE . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.054 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.768 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.22 152.93 18.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 62.55 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.6 t -87.0 -23.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 70.31 111.121 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.0 24.42 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.074 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.63 24.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 72.01 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.6 163.28 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.942 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -92.26 159.48 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.78 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.148 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.7 mt-10 -77.1 -34.06 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.64 ' HA ' HD23 ' A' ' 79' ' ' LEU . 21.8 mm-40 -79.17 -48.1 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -32.72 47.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.843 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 75' ' ' GLU . 0.6 OUTLIER -84.52 -25.17 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 72.43 110.898 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -56.03 -24.85 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 110.899 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -59.34 -42.51 91.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 75.01 110.901 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -25.02 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.02 111.058 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.86 -57.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.121 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -75.46 -25.8 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.91 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.96 23.16 78.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 34.15 112.47 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -158.83 161.48 36.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 71.23 110.927 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -72.42 143.56 48.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.56 132.65 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 63.11 111.075 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -76.41 124.45 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 72.01 110.82 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.871 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.6 m -140.44 175.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 63.51 111.111 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.747 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.93 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.14 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 59' ' ' LEU . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 97' ' ' VAL . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 95' ' ' LEU . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 52.15 111.119 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 54.31 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 63.35 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 52.11 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.782 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.504 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 65.03 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 131' ' ' ILE . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 127' ' ' VAL . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.31 111.121 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 54.43 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 55.14 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 74.12 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 16' ' ' GLU . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 72.33 111.126 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 110' ' ' VAL . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 54.52 111.157 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.499 ' CG1' HD12 ' A' ' 105' ' ' ILE . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 71.52 111.128 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.34 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 10' ' ' ILE . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -89.8 126.2 35.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.899 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -59.85 145.79 44.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 55.02 110.93 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -88.04 160.47 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 73.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.9 147.56 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.423 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.33 167.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 p -52.06 123.16 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 33.3 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -73.8 161.48 30.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.913 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.18 11.03 46.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 65.11 112.527 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 74.13 110.838 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 63.21 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.67 150.02 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 45.01 111.113 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -124.33 137.39 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.45 111.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 135' ' ' ARG . 2.5 t -119.45 157.33 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -174.38 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.888 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -95.59 127.69 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.112 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -79.38 159.34 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.88 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 ' CD1' HG12 ' A' ' 132' ' ' VAL . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.176 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.02 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 61.54 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.141 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 65' ' ' THR . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.19 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 62.04 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 61.03 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 64' ' ' VAL . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 53.03 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB3' HG21 ' A' ' 64' ' ' VAL . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 34' ' ' VAL . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 39' ' ' LEU . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.708 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 64.12 110.91 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.11 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' HA2' HD21 ' A' ' 42' ' ' LEU . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.766 HG13 HD23 ' A' ' 60' ' ' LEU . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 64.41 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 63.33 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 53.13 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.788 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 50.43 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 74.23 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 63.34 110.886 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.766 HD23 HG13 ' A' ' 48' ' ' ILE . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.21 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.21 111.067 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 65' ' ' THR . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.32 112.34 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.51 165.65 15.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 62.55 112.478 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.6 m -88.1 -24.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 70.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 m -88.02 -22.46 24.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 74.35 111.084 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.67 25.71 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 72.01 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 mt -88.14 172.0 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 60.42 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.3 p -106.9 153.96 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.207 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.04 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 64.11 111.095 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -60.53 -34.93 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.852 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.68 -32.47 74.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.888 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -72.05 -48.9 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.886 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.2 pp -71.46 -25.97 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.865 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 82' ' ' ILE . 13.7 tp -56.95 -25.81 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.869 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -57.7 -32.42 67.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.844 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.6 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.02 111.085 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 79' ' ' LEU . 22.6 mt -76.2 -60.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.062 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -25.89 56.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.31 24.59 76.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.808 -0.711 . . . . 34.15 112.473 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -151.81 152.96 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 71.23 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.02 139.24 57.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.875 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.63 128.47 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.127 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -103.94 157.54 17.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.837 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.09 156.14 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.941 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.17 159.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.51 111.09 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 63.42 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.741 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 53.42 110.873 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.14 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.525 ' CB ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' CD1' HG23 ' A' ' 97' ' ' VAL . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' CD1' ' A' ' 95' ' ' LEU . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 52.15 111.138 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 54.31 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 52.11 112.491 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 65.03 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 53' ' ' GLU . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.775 ' CD2' HG13 ' A' ' 132' ' ' VAL . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 127' ' ' VAL . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.117 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 54.43 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 55.14 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 62.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LEU . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.12 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 16' ' ' GLU . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 72.33 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 126' ' ' LEU . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 54.52 111.178 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.427 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 64.34 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.775 HG13 ' CD2' ' A' ' 106' ' ' HIS . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 8' ' ' ILE . 1.8 mp0 -86.48 114.04 22.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -85.09 156.85 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 55.02 110.869 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 6' ' ' THR . 15.8 mmm180 -74.2 168.83 18.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 73.21 110.844 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.15 146.15 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.43 168.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.161 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -92.34 115.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 33.3 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -171.78 134.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.958 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.59 37.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 65.11 112.425 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 74.13 110.857 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.831 0.348 . . . . 63.21 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 151.42 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 45.01 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -131.56 143.95 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.954 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 t -107.96 155.05 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.5 111.114 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -174.51 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.842 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 133' ' ' GLN . 2.9 mp -67.13 134.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 55.43 111.121 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -87.79 159.33 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.734 HD13 HG12 ' A' ' 132' ' ' VAL . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.13 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.54 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.084 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.02 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.933 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.929 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 61.03 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.012 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' VAL . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.03 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 34' ' ' VAL . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.46 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 63.04 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 48' ' ' ILE . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.942 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.551 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.781 HG13 HD23 ' A' ' 60' ' ' LEU . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 63.33 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 53.13 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HA ' HG23 ' A' ' 104' ' ' ILE . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 HD11 ' A' ' 60' ' ' LEU . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 72.42 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 50.43 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 74.23 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.932 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 HG13 ' A' ' 48' ' ' ILE . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 71.21 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 64' ' ' VAL . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 72.21 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.32 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 61.4 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.33 172.02 19.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 62.55 112.496 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.15 -28.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 70.31 111.166 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -55.15 -37.67 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.189 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -124.18 62.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 72.01 110.86 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tp -110.05 168.49 9.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 60.42 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.4 p -95.12 154.55 17.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.145 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.75 67.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 64.11 111.185 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.5 -34.84 78.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 79' ' ' LEU . 69.6 mm-40 -65.33 -30.87 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.845 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -71.93 -49.09 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.854 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.3 -26.21 61.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 82' ' ' ILE . 8.2 mt -59.62 -26.23 65.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.973 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -61.91 -31.59 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.01 110.914 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.37 57.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.874 HD12 HD23 ' A' ' 79' ' ' LEU . 19.1 mt -76.26 -60.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.174 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.15 -25.72 58.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.865 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.64 27.53 72.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 34.15 112.505 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.27 141.4 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 71.23 110.891 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -69.05 125.17 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.935 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.5 149.97 47.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 63.11 111.033 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.36 158.65 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 72.01 110.87 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -116.52 163.1 16.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.52 110.892 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t -134.64 154.47 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 63.51 111.07 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.876 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.14 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.672 ' CB ' HD22 ' A' ' 59' ' ' LEU . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' CD2' HG23 ' A' ' 97' ' ' VAL . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 95' ' ' LEU . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 52.15 111.152 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 54.31 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 63.35 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 52.11 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.432 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 65.03 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 53' ' ' GLU . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 131' ' ' ILE . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.31 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 126' ' ' LEU . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 55.14 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 126' ' ' LEU . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 74.12 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 72.33 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.872 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.584 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 105' ' ' ILE . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.156 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.472 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 10' ' ' ILE . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 8' ' ' ILE . 2.9 mp0 -66.92 148.97 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.53 110.946 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -118.09 142.45 47.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 55.02 110.922 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -92.16 154.9 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -136.44 146.27 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 75.34 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.5 160.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.2 t -73.87 120.56 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 33.3 110.831 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -90.86 131.37 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.61 -20.96 46.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.777 . . . . 65.11 112.488 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.13 110.791 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.759 0.314 . . . . 63.21 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -137.82 146.42 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 45.01 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -115.5 159.06 21.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -138.1 158.86 43.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.5 111.137 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -174.47 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.793 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -101.79 114.9 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 55.43 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -113.16 159.59 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.885 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.651 HG12 HG12 ' A' ' 132' ' ' VAL . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.08 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.02 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' HD13 ' A' ' 131' ' ' ILE . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.54 110.926 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 95' ' ' LEU . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 53.14 111.026 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 61.03 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 64' ' ' VAL . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 53.03 111.074 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.782 HG22 HG21 ' A' ' 34' ' ' VAL . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.22 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 31' ' ' ILE . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 71.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 63.04 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 48' ' ' ILE . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.825 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.11 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 41' ' ' ASN . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 63.33 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 53.13 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.725 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.42 111.158 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.23 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 105' ' ' ILE . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 95' ' ' LEU . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' VAL . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.673 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.108 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.32 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.95 -177.6 18.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 62.55 112.533 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.533 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.4 p -88.54 -25.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 70.31 111.105 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 p -72.38 -21.78 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -95.33 35.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 72.01 110.895 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 89' ' ' GLU . 6.9 mp -98.72 163.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.42 110.959 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.3 p -113.88 175.56 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.151 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -63.26 -26.89 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.087 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -77.39 -34.53 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -47.73 15.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.87 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -52.18 -34.22 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -84.32 -25.56 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.927 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.02 -26.56 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.916 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.52 -44.83 89.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.893 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.96 -24.82 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.02 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.29 -60.15 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.197 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.11 -26.02 58.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.855 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.54 19.61 71.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 34.15 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -145.6 171.78 14.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 71.23 110.91 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -72.9 137.58 45.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.76 165.39 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 63.11 111.086 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -110.49 135.08 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.73 ' HG2' HD11 ' A' ' 72' ' ' LEU . 4.9 mp0 -106.55 130.27 54.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.835 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.33 161.19 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.51 111.172 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.596 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.855 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.14 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.737 ' CB ' HD22 ' A' ' 59' ' ' LEU . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 97' ' ' VAL . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 95' ' ' LEU . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 52.15 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 54.31 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 52.11 112.446 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 65.03 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG23 ' HA ' ' A' ' 53' ' ' GLU . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.817 HD11 HD13 ' A' ' 60' ' ' LEU . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.089 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 114' ' ' GLU . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 54.43 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 55.14 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 74.12 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.511 ' CG1' HD23 ' A' ' 119' ' ' LEU . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 72.33 111.147 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 127' ' ' VAL . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 62.41 111.009 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.576 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.52 111.136 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 105' ' ' ILE . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 71.52 111.195 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.572 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.651 HG12 HG12 ' A' ' 10' ' ' ILE . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -96.83 119.07 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.935 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -106.54 115.5 30.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.904 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -124.68 167.35 14.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -89.15 145.64 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.846 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.44 165.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 52.43 111.09 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.3 p -52.09 124.03 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.3 110.786 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -129.05 -44.75 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.64 11.06 23.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 65.11 112.431 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 74.13 110.883 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 63.21 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.6 143.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 45.01 111.168 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -89.81 151.47 21.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -164.26 161.37 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.5 111.159 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -179.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.857 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -85.39 132.51 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 55.43 111.133 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -156.22 159.2 38.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.755 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.096 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 61.54 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 95' ' ' LEU . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 61' ' ' VAL . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB2' HG13 ' A' ' 123' ' ' VAL . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 53.14 111.141 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 61.03 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.691 HG23 HG23 ' A' ' 64' ' ' VAL . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 53.03 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' N ' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 71.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 63.04 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.6 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 60' ' ' LEU . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.33 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 53.13 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.751 HG23 HD11 ' A' ' 60' ' ' LEU . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.15 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 74.23 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.933 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.803 HD13 HD11 ' A' ' 105' ' ' ILE . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG11 ' OG ' ' A' ' 15' ' ' SER . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 71.21 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 HG23 ' A' ' 28' ' ' THR . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 72.21 111.124 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.32 112.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 61.4 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.2 166.85 12.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.55 112.515 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.61 -25.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 70.31 111.168 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.0 p -58.97 -38.42 79.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.197 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -111.52 46.14 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 89' ' ' GLU . 9.5 tp -72.85 165.56 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 60.42 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.1 p -93.63 160.76 14.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.201 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.25 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.071 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.57 -34.49 53.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.936 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 79' ' ' LEU . 21.9 mm-40 -79.23 -47.6 15.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.914 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -51.92 -34.34 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -27.28 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.947 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 76' ' ' GLU . 8.7 mt -63.23 -25.92 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.94 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.13 -42.52 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.923 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.36 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.129 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.96 -58.96 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.081 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -75.01 -25.99 59.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.916 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.28 27.3 70.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.722 . . . . 34.15 112.41 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -149.16 161.08 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 71.23 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.2 129.77 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 71.34 110.913 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.21 170.15 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.144 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.63 134.41 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.821 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' ' 72' ' ' LEU . 16.8 mp0 -109.59 147.37 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.455 HG11 ' OD2' ' A' ' 30' ' ' ASP . 5.7 p -140.85 158.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 63.51 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 64' ' ' VAL . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.14 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' GLU . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 52.15 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 54.31 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 52.11 112.543 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 63.32 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HA ' ' A' ' 53' ' ' GLU . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.803 HD11 HD13 ' A' ' 60' ' ' LEU . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.791 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.139 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 55.14 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 74.12 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 72.33 111.194 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 HG23 ' A' ' 110' ' ' VAL . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.093 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.456 ' CG1' HD12 ' A' ' 105' ' ' ILE . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.493 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.755 HG12 ' CD1' ' A' ' 10' ' ' ILE . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.82 125.03 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.887 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.08 136.28 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 55.02 110.894 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -77.13 163.97 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -62.38 148.49 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.959 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.46 167.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 52.43 111.1 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -52.08 122.92 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 33.3 110.828 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -68.9 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.5 -19.67 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 65.11 112.447 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.715 0.293 . . . . 74.13 110.893 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 63.21 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.11 143.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 45.01 111.137 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -134.34 134.26 41.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.45 110.923 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 p -76.08 150.29 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.075 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -174.32 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.844 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.5 144.39 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 55.43 111.09 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -115.73 159.48 21.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 65.44 110.861 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.661 HG12 HG12 ' A' ' 132' ' ' VAL . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.117 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 61.54 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB2' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 72.02 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 62.04 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 61.03 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.23 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.757 HG23 HG23 ' A' ' 64' ' ' VAL . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 53.03 111.087 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 HG21 ' A' ' 34' ' ' VAL . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 71.22 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.687 HG21 HG22 ' A' ' 31' ' ' ILE . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 36' ' ' GLU . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 63.04 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.803 ' HB2' HG23 ' A' ' 48' ' ' ILE . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.949 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 60' ' ' LEU . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.455 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 64.41 111.169 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 63.33 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 53.13 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.711 ' HA ' HG23 ' A' ' 104' ' ' ILE . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 103' ' ' GLY . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.115 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 50.43 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 74.23 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 31' ' ' ILE . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 63.34 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 105' ' ' ILE . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 HD23 ' A' ' 95' ' ' LEU . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.089 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.757 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.149 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.32 112.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.86 -176.03 49.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 62.55 112.528 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -89.42 -30.35 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.952 0.406 . . . . 70.31 111.089 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -89.13 -22.45 22.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.148 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.86 -32.1 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.919 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.44 155.01 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 60.42 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -119.98 177.05 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.158 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.31 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 64.11 111.069 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.31 -38.01 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.871 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mp0 -74.63 -30.55 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.865 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -48.95 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 75.45 110.915 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.76 -27.52 62.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.915 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 76' ' ' GLU . 11.3 mt -61.44 -24.82 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.92 -42.07 88.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.834 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -24.64 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 71.02 111.095 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.25 -59.44 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.32 111.109 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -76.26 -25.97 55.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.6 -26.98 13.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.824 -0.703 . . . . 34.15 112.418 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -131.36 152.49 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.23 110.925 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -78.48 137.63 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.901 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -119.89 125.72 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 63.11 111.107 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.33 137.65 28.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.845 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -116.04 140.28 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 66' ' ' PRO . 6.6 m -132.53 171.16 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.51 111.108 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.14 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.441 ' CB ' HD23 ' A' ' 59' ' ' LEU . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 97' ' ' VAL . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.608 HG23 HD11 ' A' ' 95' ' ' LEU . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 52.15 111.11 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 54.31 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 63.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 52.11 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 63.32 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 65.03 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.711 HG23 ' HA ' ' A' ' 53' ' ' GLU . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 60' ' ' LEU . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.455 ' HB ' HD11 ' A' ' 50' ' ' ILE . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 127' ' ' VAL . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.155 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 54.43 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 55.14 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 74.12 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 72.33 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 110' ' ' VAL . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 54.52 111.122 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 64.34 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.523 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.661 HG12 HG12 ' A' ' 10' ' ' ILE . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -78.45 143.99 36.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -125.83 157.65 37.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 55.02 110.883 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -64.25 125.56 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -98.93 144.96 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.931 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.471 HD13 ' HG3' ' A' ' 139' ' ' GLU . 2.9 pp -51.55 169.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 52.43 111.096 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.3 t -98.58 121.43 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 33.3 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.471 ' HG3' HD13 ' A' ' 137' ' ' ILE . 7.6 mt-10 -162.04 150.12 14.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.07 -21.99 19.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 65.11 112.438 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 74.13 110.838 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.828 0.346 . . . . 63.21 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.26 145.69 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 45.01 111.107 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -90.01 143.21 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 71.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -140.57 157.38 45.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.175 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.18 -174.22 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.8 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.47 124.6 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 55.43 111.179 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -162.83 159.25 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 65.44 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG12 HG12 ' A' ' 132' ' ' VAL . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 55.02 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.946 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 53.14 111.122 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.02 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 74.45 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 61.03 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.946 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.514 HG23 HG23 ' A' ' 64' ' ' VAL . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 53.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.569 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.646 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 60' ' ' LEU . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 41' ' ' ASN . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 108' ' ' VAL . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 53.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.79 ' HA ' HG23 ' A' ' 104' ' ' ILE . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.638 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 72.42 111.143 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 50.43 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.922 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 105' ' ' ILE . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 95' ' ' LEU . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.059 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 93' ' ' THR . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 72.21 111.133 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.32 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 61.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.0 111.47 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 62.55 112.478 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -53.84 -32.86 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 70.31 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.2 t -60.77 -24.64 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.09 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -118.11 35.52 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.876 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 72' ' ' LEU . 8.6 tp -73.51 168.02 20.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 60.42 110.925 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.5 p -96.83 153.98 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 73.31 111.095 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -34.11 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.11 111.085 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.69 -34.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -78.78 -31.02 45.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -71.79 -49.04 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.841 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.48 -13.64 61.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.949 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 83' ' ' PHE . 11.2 tp -72.96 -7.73 52.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.861 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -55.47 -39.51 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.01 110.858 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.08 -20.9 47.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.114 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.53 -57.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.32 111.089 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.558 ' CE1' HD21 ' A' ' 79' ' ' LEU . 3.8 m-85 -77.42 -25.9 51.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.877 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.42 18.48 55.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.763 . . . . 34.15 112.524 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -162.04 143.61 10.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 71.23 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.72 121.93 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.975 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.51 142.26 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 63.11 111.12 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -78.71 137.02 37.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 72.01 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.38 160.02 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 30' ' ' ASP . 5.1 p -139.14 160.78 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 63.51 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.651 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 53.42 110.872 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 63' ' ' LYS . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.14 111.121 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 96' ' ' ARG . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.58 ' N ' HD23 ' A' ' 95' ' ' LEU . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 52.15 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 54.31 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.35 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 52.11 112.424 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.32 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.03 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 60' ' ' LEU . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.426 ' HB ' HD11 ' A' ' 50' ' ' ILE . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.31 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' HD12 ' A' ' 126' ' ' LEU . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.43 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 55.14 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 62.43 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 74.12 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 62.41 110.886 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 54.52 111.165 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 64.11 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.058 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.34 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.684 HG12 HG12 ' A' ' 10' ' ' ILE . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.58 114.37 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -113.51 156.62 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.803 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -61.45 137.21 58.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -54.19 155.71 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.3 pp -131.05 168.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 52.43 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 t -140.65 159.72 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 33.3 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -60.05 -26.56 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.881 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.73 11.09 80.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 65.11 112.512 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 74.13 110.879 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.922 0.392 . . . . 63.21 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.07 143.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 45.01 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -110.96 135.87 50.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.45 110.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -124.93 155.89 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 73.5 111.152 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -175.29 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.54 110.822 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.73 143.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 55.43 111.145 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -145.31 159.28 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 65.44 110.819 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.742 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.084 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 55.02 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 53.14 111.121 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.04 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 61.03 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 53.03 111.139 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' N ' HG21 ' A' ' 64' ' ' VAL . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 63.04 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.744 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 64.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 60' ' ' LEU . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.744 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.082 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 63.33 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 53.13 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.713 ' HA ' HG23 ' A' ' 104' ' ' ILE . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.742 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.108 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 50.43 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 74.23 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.638 HD13 ' CB ' ' A' ' 94' ' ' SER . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 105' ' ' ILE . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 95' ' ' LEU . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.157 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.203 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.776 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.32 112.415 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 61.4 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.9 171.7 31.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 62.55 112.489 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -89.79 -19.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 70.31 111.15 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -94.59 24.42 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.135 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -132.37 20.62 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 72.01 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 ' HG2' ' A' ' 76' ' ' GLU . 4.4 mm? -78.23 172.06 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 60.42 110.971 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HG1' ' CD ' ' A' ' 76' ' ' GLU . 19.9 p -115.4 162.76 16.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.126 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.17 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.073 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.41 -35.64 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.13 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' HG2' HD12 ' A' ' 72' ' ' LEU . 1.4 mp0 -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.912 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -66.19 -40.81 90.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.45 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.08 -13.72 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.28 -7.49 52.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -55.63 -38.87 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.835 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.14 -19.95 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.4 mm -83.36 -59.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 73.32 111.09 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.94 -25.77 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.85 -20.12 51.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 34.15 112.452 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -170.22 147.07 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 71.23 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.77 122.73 16.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 71.34 110.91 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.28 155.23 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 63.11 111.095 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -56.15 135.4 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -115.9 148.1 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.3 m -134.42 179.63 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 63.51 111.119 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 53.42 110.917 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.638 ' CB ' HD13 ' A' ' 59' ' ' LEU . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 97' ' ' VAL . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 52.15 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 54.31 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 63.35 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 52.11 112.457 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 65.03 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.713 HG23 ' HA ' ' A' ' 53' ' ' GLU . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.839 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HB ' HD11 ' A' ' 50' ' ' ILE . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.787 HG23 HG22 ' A' ' 127' ' ' VAL . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 54.43 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 126' ' ' LEU . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 74.12 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 72.33 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 62.41 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.787 HG22 HG23 ' A' ' 110' ' ' VAL . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.106 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.34 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.454 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 10' ' ' ILE . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.08 113.63 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -132.16 140.31 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.957 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -125.34 168.96 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -51.41 146.98 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.937 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.15 156.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 52.43 111.129 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.7 t -60.27 125.23 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 33.3 110.86 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.96 -45.02 87.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.68 11.05 17.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.477 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.308 . . . . 74.13 110.888 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.327 . . . . 63.21 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -140.09 152.09 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.161 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -89.68 159.0 17.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.893 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.8 p -120.07 -173.6 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.5 111.154 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.41 -173.09 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -73.86 157.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 55.43 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -121.64 159.32 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.883 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 132' ' ' VAL . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 55.02 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 61.54 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 53.14 111.1 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.02 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.45 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 61.03 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.559 HD11 ' HG3' ' A' ' 63' ' ' LYS . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG23 ' A' ' 64' ' ' VAL . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 53.03 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.562 ' N ' HG21 ' A' ' 64' ' ' VAL . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 63.04 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 48' ' ' ILE . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 64.12 110.945 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.509 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 60' ' ' LEU . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 63.33 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 53.13 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.792 ' HA ' HG23 ' A' ' 104' ' ' ILE . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 101' ' ' GLY . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.184 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 50.43 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 74.23 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 63.34 110.869 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 HD23 ' A' ' 95' ' ' LEU . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.21 111.173 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.722 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.09 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.32 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.4 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.95 -161.61 10.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.493 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 m -91.27 12.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 70.31 111.179 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -68.65 -48.22 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.35 111.169 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -130.4 54.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.04 169.15 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 60.42 110.915 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -94.17 154.38 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 73.31 111.21 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.02 -36.03 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 64.11 111.076 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.15 -34.91 78.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.848 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' OE2' HD13 ' A' ' 79' ' ' LEU . 42.6 mm-40 -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.892 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.6 mmm-85 -51.93 -49.28 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.903 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -84.15 -27.03 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.0 tt -55.6 -26.31 43.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.944 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -66.3 -29.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.01 110.872 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.31 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.02 111.163 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.2 mt -72.73 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -25.94 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.31 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.46 19.63 57.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 34.15 112.554 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -142.7 153.16 43.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 71.23 110.973 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.56 132.87 39.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.934 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.43 162.91 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.075 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -92.33 148.12 22.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 72.01 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -114.28 160.32 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 30' ' ' ASP . 17.4 t -144.46 154.84 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.51 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 63.42 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.645 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.14 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD11 HG23 ' A' ' 97' ' ' VAL . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 52.15 111.173 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 54.31 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 63.35 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 52.11 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 65.03 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HA ' ' A' ' 53' ' ' GLU . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 60' ' ' LEU . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 55.14 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 126' ' ' LEU . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 74.12 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 16' ' ' GLU . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 72.33 111.144 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 54.52 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.666 HG12 HD13 ' A' ' 10' ' ' ILE . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.25 136.32 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -77.56 144.8 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 55.02 110.88 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.11 159.41 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -101.59 155.65 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.2 pp -131.05 164.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 52.43 111.067 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 t -103.63 157.16 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 33.3 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -109.49 -45.53 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.68 11.14 57.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 65.11 112.494 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 74.13 110.82 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 63.21 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -135.33 147.02 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.01 111.175 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -56.38 145.74 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.935 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -137.55 151.53 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 73.5 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.81 -173.97 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.54 110.835 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -98.09 128.02 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 55.43 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -104.77 159.11 16.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 132' ' ' VAL . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.52 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 55.02 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.115 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' THR . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.02 111.153 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 62.04 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 61.03 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 53.03 111.168 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 71.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.04 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB2' HG23 ' A' ' 48' ' ' ILE . 26.6 m120 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.565 HG23 ' HB2' ' A' ' 41' ' ' ASN . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 63.33 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 53.13 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.778 ' HA ' HG23 ' A' ' 104' ' ' ILE . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.642 ' CG2' HG11 ' A' ' 97' ' ' VAL . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.171 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 50.43 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 74.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 105' ' ' ILE . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 71.21 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.32 112.367 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.6 157.21 31.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 62.55 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 p -80.31 -29.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 70.31 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.7 m -80.82 -30.13 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.142 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -57.23 -25.86 59.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.01 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' CD ' ' A' ' 89' ' ' GLU . 4.1 mm? -52.14 166.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 60.42 110.962 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -120.0 170.09 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 73.31 111.084 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.46 73.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.067 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.35 -34.96 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.912 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.85 -30.13 61.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 72.21 110.86 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -63.54 -48.98 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.865 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 pp -72.06 -25.44 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.882 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 9.6 tt -56.41 -24.96 48.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.891 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -55.38 -28.6 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.834 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.02 -26.07 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.102 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD12 ' HG ' ' A' ' 79' ' ' LEU . 21.1 mt -74.37 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 73.32 111.144 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.05 -26.0 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.844 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.5 38.93 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 34.15 112.435 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -174.83 146.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 71.23 110.85 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -74.58 134.02 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.34 110.922 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 144.52 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 63.11 111.095 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -82.74 146.4 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.01 110.915 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' CD ' HD11 ' A' ' 72' ' ' LEU . 37.6 mp0 -116.7 138.51 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.926 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.8 m -131.84 174.41 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 63.51 111.18 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.744 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.897 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.509 HG23 ' HD3' ' A' ' 63' ' ' LYS . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.14 111.164 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.642 HG11 ' CG2' ' A' ' 54' ' ' VAL . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 52.15 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 54.31 112.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 52.11 112.505 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 63.32 112.487 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 65.03 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.701 HD11 HD13 ' A' ' 60' ' ' LEU . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.903 HG23 HG22 ' A' ' 127' ' ' VAL . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.18 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 55.14 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 74.12 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 16' ' ' GLU . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 72.33 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 110' ' ' VAL . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 54.52 111.163 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.401 ' CG1' HD12 ' A' ' 105' ' ' ILE . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 10' ' ' ILE . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -80.73 120.01 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.99 156.29 15.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 55.02 110.901 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.28 151.24 41.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -51.81 147.29 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.34 164.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 52.43 111.168 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 t -79.6 117.49 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 33.3 110.881 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.07 179.54 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.66 -22.8 33.03 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.664 -0.779 . . . . 65.11 112.414 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 74.13 110.875 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 63.21 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.1 144.03 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 45.01 111.143 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -132.25 128.43 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 71.45 110.885 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -58.02 172.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 73.5 111.166 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -173.15 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.859 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.8 156.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 55.43 111.119 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -128.57 159.49 35.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 132' ' ' VAL . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.884 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 53.14 111.115 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.114 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 62.04 110.93 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 61.03 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.884 HD12 ' HB2' ' A' ' 17' ' ' ALA . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.74 HG23 HG23 ' A' ' 64' ' ' VAL . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.03 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 64' ' ' VAL . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG22 ' HB ' ' A' ' 34' ' ' VAL . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 71.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 63.04 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.762 HG13 HD23 ' A' ' 60' ' ' LEU . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 63.33 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 53.13 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 104' ' ' ILE . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.42 111.155 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 50.43 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 74.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 95' ' ' LEU . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.978 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.762 HD23 HG13 ' A' ' 48' ' ' ILE . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 95' ' ' LEU . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.21 111.111 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.74 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.13 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.719 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.32 112.352 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.47 171.28 47.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 62.55 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 m -85.96 -27.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 70.31 111.073 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.85 16.52 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.094 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -94.78 -30.95 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.64 167.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -117.85 168.98 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.194 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -27.71 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.11 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.06 -34.95 79.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.73 -30.54 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -56.93 -48.88 77.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.45 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.6 pp -79.46 -27.0 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 72.43 110.924 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 78' ' ' LEU . 13.8 tp -58.37 -24.71 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.991 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.77 -46.93 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 75.01 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.35 -24.71 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.121 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.6 mm -70.36 -56.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.06 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.85 -25.99 59.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.894 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.48 37.17 58.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 34.15 112.491 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.62 160.81 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 71.23 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -87.82 134.8 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.946 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -130.02 140.64 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.11 111.087 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -82.71 149.55 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -116.91 130.1 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.858 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.4 m -134.88 178.24 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 63.51 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.724 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.861 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.14 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 59' ' ' LEU . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 52.15 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 54.31 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.35 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 52.11 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 63.32 112.499 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 110' ' ' VAL . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 72.31 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 123' ' ' VAL . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 74.12 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.33 111.12 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.95 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.52 111.157 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.52 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 10' ' ' ILE . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.09 129.12 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.934 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 55.02 110.885 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -62.45 142.6 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -51.92 146.13 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 75.34 110.856 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.45 155.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 52.43 111.114 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 t -63.97 132.46 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 33.3 110.882 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.81 -54.85 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.883 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 98.5 11.05 49.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 65.11 112.487 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 74.13 110.928 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 65.44 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 132' ' ' VAL . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 61.54 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' A' ' 123' ' ' VAL . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 53.14 111.108 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.02 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 61.03 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.78 HG23 HG23 ' A' ' 64' ' ' VAL . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 53.03 111.119 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 71.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 63.04 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.489 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 64.41 111.091 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 63.33 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 53.13 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.754 ' HA ' HG23 ' A' ' 104' ' ' ILE . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 50.43 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 74.23 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 63.34 110.899 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD23 HG13 ' A' ' 48' ' ' ILE . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 95' ' ' LEU . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.21 111.077 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' VAL . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 HG23 ' A' ' 28' ' ' THR . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.32 112.313 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 62.55 112.538 179.867 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.837 0.351 . . . . 63.51 111.102 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 64' ' ' VAL . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.868 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.14 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.667 ' HB2' HD22 ' A' ' 59' ' ' LEU . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 60' ' ' LEU . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 52.15 111.135 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 54.31 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 63.35 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 52.11 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 63.32 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 65.03 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 50' ' ' ILE . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.081 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 74.12 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 72.33 111.101 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.912 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.51 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.52 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 64.11 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 105' ' ' ILE . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.095 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 64.34 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.511 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 10' ' ' ILE . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.871 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.775 0.321 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.575 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 72.52 111.108 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 61.54 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 53.14 111.111 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 61.03 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.737 HG23 HG23 ' A' ' 64' ' ' VAL . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 53.03 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HG21 ' A' ' 64' ' ' VAL . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 71.22 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 71.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 64.41 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 63.33 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 53.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.779 ' HA ' HG23 ' A' ' 104' ' ' ILE . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.696 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 50.43 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 74.23 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.906 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' A' ' 54' ' ' VAL . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.737 HG23 HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.133 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.633 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.32 112.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 62.55 112.482 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 63.51 111.124 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.42 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.14 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' VAL . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 95' ' ' LEU . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 52.15 111.089 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 54.31 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 52.11 112.493 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 63.32 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 65.03 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 53' ' ' GLU . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.675 HD11 HD13 ' A' ' 60' ' ' LEU . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 127' ' ' VAL . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.161 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 54.43 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 74.12 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.412 HG13 ' HB2' ' A' ' 16' ' ' GLU . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 72.33 111.072 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.886 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.659 ' N ' HD13 ' A' ' 126' ' ' LEU . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 54.52 111.038 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 64.11 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.404 ' CG1' HD12 ' A' ' 105' ' ' ILE . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.092 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 10' ' ' ILE . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.922 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.805 0.336 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.701 HD13 HG12 ' A' ' 132' ' ' VAL . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 72.52 111.134 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 55.02 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 61.54 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 53.14 111.071 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 72.02 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 61.03 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.489 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 64' ' ' VAL . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 53.03 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.559 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 71.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 34' ' ' VAL . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 63.04 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.475 ' HB2' HG23 ' A' ' 48' ' ' ILE . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.608 HG13 HD23 ' A' ' 60' ' ' LEU . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 53.13 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.77 ' HA ' HG23 ' A' ' 104' ' ' ILE . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 50.43 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 74.23 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.885 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD23 HG13 ' A' ' 48' ' ' ILE . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.502 HG11 HD23 ' A' ' 95' ' ' LEU . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 71.21 111.126 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.63 ' NZ ' HG23 ' A' ' 65' ' ' THR . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.754 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.105 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.63 HG23 ' NZ ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.32 112.303 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 62.55 112.539 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.3 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 63.51 111.12 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.754 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 53.42 110.838 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.14 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.622 ' HB2' HD22 ' A' ' 59' ' ' LEU . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.621 ' CD1' HG23 ' A' ' 97' ' ' VAL . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' CD1' ' A' ' 95' ' ' LEU . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 52.15 111.13 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 54.31 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 52.11 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.32 112.486 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 65.03 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 60' ' ' LEU . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 54.43 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 55.14 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 62.43 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 126' ' ' LEU . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.12 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 16' ' ' GLU . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 72.33 111.091 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 54.52 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 10' ' ' ILE . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.907 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 65.44 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.728 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.52 111.144 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.084 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 72.02 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.04 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 61.03 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.78 HD11 ' HG3' ' A' ' 63' ' ' LYS . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 64' ' ' VAL . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 53.03 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 39' ' ' LEU . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 HG13 ' A' ' 34' ' ' VAL . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.766 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.918 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.11 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.766 HG23 ' HB2' ' A' ' 41' ' ' ASN . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 63.33 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 53.13 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HA ' HG23 ' A' ' 104' ' ' ILE . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.062 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 50.43 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 74.23 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 63.34 110.936 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.939 HD13 HD11 ' A' ' 105' ' ' ILE . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG11 HD23 ' A' ' 95' ' ' LEU . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.162 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.195 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.495 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.32 112.364 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.4 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 62.55 112.534 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.798 0.332 . . . . 63.51 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 63.42 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.518 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.898 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 63' ' ' LYS . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.14 111.143 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.623 ' HB2' HD22 ' A' ' 59' ' ' LEU . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 97' ' ' VAL . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 52.15 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 54.31 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 63.35 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 52.11 112.406 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 65.03 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.771 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 54.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 55.14 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 123' ' ' VAL . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 74.12 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 120' ' ' PRO . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 72.33 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.878 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.54 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 54.52 111.157 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.533 ' HE ' HD11 ' A' ' 126' ' ' LEU . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.897 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 105' ' ' ILE . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.098 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 64.34 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.419 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.728 HG12 ' CD1' ' A' ' 10' ' ' ILE . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.888 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.873 0.368 . . . . 65.44 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.667 HD13 HG12 ' A' ' 132' ' ' VAL . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 55.02 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.838 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 53.14 111.164 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 62.04 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 61.03 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 64' ' ' VAL . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 53.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' HG21 ' A' ' 64' ' ' VAL . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.509 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 71.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.04 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.644 ' HB2' HG23 ' A' ' 48' ' ' ILE . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 64.12 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB2' ' A' ' 41' ' ' ASN . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 63.33 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 53.13 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.765 ' HA ' HG23 ' A' ' 104' ' ' ILE . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 60' ' ' LEU . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 72.42 111.136 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 74.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.34 110.94 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 105' ' ' ILE . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.611 HG21 HD23 ' A' ' 95' ' ' LEU . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.125 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 28' ' ' THR . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.32 112.244 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.4 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 62.55 112.521 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.715 0.293 . . . . 63.51 111.164 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.42 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.14 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.641 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.641 HG23 HD11 ' A' ' 95' ' ' LEU . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 52.15 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 54.31 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 52.11 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.482 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.523 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.03 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 60' ' ' LEU . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 127' ' ' VAL . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 127' ' ' VAL . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 72.31 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 126' ' ' LEU . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.562 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 74.12 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.562 ' CG1' HD23 ' A' ' 119' ' ' LEU . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 72.33 111.142 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 62.41 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.8 HG22 HG23 ' A' ' 110' ' ' VAL . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.52 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 105' ' ' ILE . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 10' ' ' ILE . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.887 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.758 0.313 . . . . 65.44 110.798 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 HG12 HG12 ' A' ' 132' ' ' VAL . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 72.52 111.157 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 10' ' ' ILE . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 61.54 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.572 ' OG ' HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 53.14 111.048 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 74.45 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 61.03 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 64' ' ' VAL . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 53.03 111.18 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.547 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.743 HG22 HG21 ' A' ' 34' ' ' VAL . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 31' ' ' ILE . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 39' ' ' LEU . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.04 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.685 ' HB2' HG23 ' A' ' 48' ' ' ILE . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.41 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 53.13 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 60' ' ' LEU . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.42 111.086 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 50.43 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 74.23 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 94' ' ' SER . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 63.34 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HG23 ' A' ' 54' ' ' VAL . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG21 HD21 ' A' ' 95' ' ' LEU . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 71.21 111.165 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.781 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 72.21 111.128 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.32 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 61.4 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.55 112.51 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.464 HG11 ' OD2' ' A' ' 30' ' ' ASP . 7.3 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 63.51 111.101 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.781 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.42 110.873 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.14 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.629 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 52.15 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 54.31 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.486 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 63.32 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 65.03 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 60' ' ' LEU . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 54.43 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 55.14 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 74.12 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 72.33 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 62.41 110.941 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.468 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 54.52 111.125 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.507 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 71.52 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 105' ' ' ILE . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.677 HG12 HG12 ' A' ' 10' ' ' ILE . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.74 0.305 . . . . 65.44 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 132' ' ' VAL . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.08 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.02 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 61.54 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 123' ' ' VAL . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 53.14 111.102 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 72.02 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 61.03 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.658 HG23 HG23 ' A' ' 64' ' ' VAL . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 53.03 111.206 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 71.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 34' ' ' VAL . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.04 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.592 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.988 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 64.41 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 63.33 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 53.13 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 60' ' ' LEU . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.166 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 50.43 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 74.23 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD22 ' OG ' ' A' ' 94' ' ' SER . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 63.34 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.856 HD11 HG23 ' A' ' 54' ' ' VAL . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 95' ' ' LEU . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 92' ' ' ASP . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 72.21 111.134 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.432 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.32 112.342 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 61.4 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.55 112.529 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.785 0.326 . . . . 63.51 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 64' ' ' VAL . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 63.42 110.872 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 53.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.14 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.692 ' OG ' HD22 ' A' ' 59' ' ' LEU . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD11 HG23 ' A' ' 97' ' ' VAL . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 95' ' ' LEU . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 52.15 111.087 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 54.31 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 63.35 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 52.11 112.449 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 63.32 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.583 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 HG13 ' A' ' 129' ' ' VAL . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 127' ' ' VAL . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.31 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.48 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 55.14 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.43 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 74.12 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 72.33 111.16 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.588 ' N ' HD13 ' A' ' 126' ' ' LEU . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.079 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' A' ' 105' ' ' ILE . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.147 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.438 HG13 HD13 ' A' ' 105' ' ' ILE . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.43 HG12 HD13 ' A' ' 10' ' ' ILE . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.919 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 65.44 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 132' ' ' VAL . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.104 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.14 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 72.02 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.04 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 61.03 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.766 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 53.03 111.121 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' N ' HG21 ' A' ' 64' ' ' VAL . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 39' ' ' LEU . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 71.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.713 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.616 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HB2' HG23 ' A' ' 48' ' ' ILE . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 38' ' ' ALA . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 63.33 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 53.13 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.752 ' HA ' HG23 ' A' ' 104' ' ' ILE . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 HD11 ' A' ' 60' ' ' LEU . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 74.23 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.966 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD23 HG13 ' A' ' 48' ' ' ILE . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 95' ' ' LEU . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.21 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.766 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.175 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.32 112.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 61.4 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 62.55 112.504 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.721 0.296 . . . . 63.51 111.145 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 53.42 110.864 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.14 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.563 HD11 HG23 ' A' ' 97' ' ' VAL . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 95' ' ' LEU . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 52.15 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 54.31 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 63.35 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 52.11 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.483 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 63.32 112.487 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.752 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.527 HD12 ' CG1' ' A' ' 129' ' ' VAL . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.31 111.157 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 55.14 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 74.12 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 16' ' ' GLU . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 72.33 111.072 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.885 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.527 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.52 111.132 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.527 ' CG1' HD12 ' A' ' 105' ' ' ILE . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.408 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 10' ' ' ILE . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.936 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.742 0.306 . . . . 65.44 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.758 ' CD1' HG12 ' A' ' 132' ' ' VAL . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.168 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.02 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD11 ' A' ' 95' ' ' LEU . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 61.54 110.951 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 53.14 111.094 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.04 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 61.03 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 ' HG2' ' A' ' 63' ' ' LYS . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 53.03 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 64' ' ' VAL . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.22 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 71.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.04 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 48' ' ' ILE . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 64.12 110.884 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 63.33 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 53.13 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.745 ' HA ' HG23 ' A' ' 104' ' ' ILE . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 50.43 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HG21 ' A' ' 97' ' ' VAL . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.23 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD22 ' CB ' ' A' ' 94' ' ' SER . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 63.34 110.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 97' ' ' VAL . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 27' ' ' ILE . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.779 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 72.21 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.791 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.32 112.359 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 62.55 112.414 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.0 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.801 0.334 . . . . 63.51 111.208 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 53.42 110.845 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.14 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.59 ' CB ' HD22 ' A' ' 59' ' ' LEU . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 13' ' ' TYR . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 60' ' ' LEU . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 52.15 111.145 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 54.31 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 63.35 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 52.11 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 63.32 112.508 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 65.03 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 53' ' ' GLU . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 129' ' ' VAL . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 55.14 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.43 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 126' ' ' LEU . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 74.12 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 16' ' ' GLU . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 72.33 111.101 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 54.52 111.127 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 71.52 111.08 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.483 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 10' ' ' ILE . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.968 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 65.44 110.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 132' ' ' VAL . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.52 111.127 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 61.54 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.521 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 53.14 111.074 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 62.04 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 61.03 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 64' ' ' VAL . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 53.03 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 64' ' ' VAL . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 34' ' ' VAL . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.634 HG21 HG22 ' A' ' 31' ' ' ILE . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 71.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 63.04 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.535 ' HB2' HG23 ' A' ' 48' ' ' ILE . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.759 HG13 HD23 ' A' ' 60' ' ' LEU . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 63.33 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 53.13 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.782 HG11 ' HA3' ' A' ' 101' ' ' GLY . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.42 111.131 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 74.23 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 94' ' ' SER . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.759 HD23 HG13 ' A' ' 48' ' ' ILE . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 71.21 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 27' ' ' ILE . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.054 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.768 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 62.55 112.526 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 63.51 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.747 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.93 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.14 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 59' ' ' LEU . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 97' ' ' VAL . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 95' ' ' LEU . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 52.15 111.119 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 54.31 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 63.35 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 52.11 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.782 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.504 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 65.03 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 131' ' ' ILE . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 127' ' ' VAL . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.31 111.121 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 54.43 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 55.14 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 74.12 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 16' ' ' GLU . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 72.33 111.126 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 110' ' ' VAL . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 54.52 111.157 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.499 ' CG1' HD12 ' A' ' 105' ' ' ILE . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 71.52 111.128 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.34 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 10' ' ' ILE . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.899 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.776 0.322 . . . . 65.44 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 ' CD1' HG12 ' A' ' 132' ' ' VAL . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.176 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.02 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 61.54 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.141 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 65' ' ' THR . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.19 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 62.04 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 61.03 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 64' ' ' VAL . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 53.03 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB3' HG21 ' A' ' 64' ' ' VAL . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 34' ' ' VAL . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 39' ' ' LEU . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.708 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 64.12 110.91 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.11 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.423 ' HA2' HD21 ' A' ' 42' ' ' LEU . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.766 HG13 HD23 ' A' ' 60' ' ' LEU . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 64.41 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 63.33 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 53.13 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.788 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 50.43 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 74.23 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 63.34 110.886 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.766 HD23 HG13 ' A' ' 48' ' ' ILE . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.21 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.21 111.067 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 65' ' ' THR . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.32 112.34 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 62.55 112.478 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 63.51 111.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 63.42 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.741 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 53.42 110.873 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.14 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.525 ' CB ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' CD1' HG23 ' A' ' 97' ' ' VAL . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' CD1' ' A' ' 95' ' ' LEU . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 52.15 111.138 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 54.31 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 52.11 112.491 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 65.03 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 53' ' ' GLU . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.775 ' CD2' HG13 ' A' ' 132' ' ' VAL . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 127' ' ' VAL . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.117 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 54.43 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 55.14 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 62.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LEU . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.12 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 16' ' ' GLU . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 72.33 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 126' ' ' LEU . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 54.52 111.178 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.427 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 64.34 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.775 HG13 ' CD2' ' A' ' 106' ' ' HIS . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.951 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 65.44 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.734 HD13 HG12 ' A' ' 132' ' ' VAL . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.13 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.54 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.084 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.02 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.933 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.929 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 61.03 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.012 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' VAL . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.03 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 34' ' ' VAL . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.46 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 63.04 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 48' ' ' ILE . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.942 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.551 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.781 HG13 HD23 ' A' ' 60' ' ' LEU . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 63.33 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 53.13 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HA ' HG23 ' A' ' 104' ' ' ILE . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 HD11 ' A' ' 60' ' ' LEU . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 72.42 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 50.43 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 74.23 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.932 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 HG13 ' A' ' 48' ' ' ILE . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 71.21 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 64' ' ' VAL . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 72.21 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.32 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 61.4 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 62.55 112.496 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.863 0.363 . . . . 63.51 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.876 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.14 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.672 ' CB ' HD22 ' A' ' 59' ' ' LEU . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' CD2' HG23 ' A' ' 97' ' ' VAL . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 95' ' ' LEU . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 52.15 111.152 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 54.31 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 63.35 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 52.11 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.432 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 65.03 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 53' ' ' GLU . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 131' ' ' ILE . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.31 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 126' ' ' LEU . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 55.14 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 126' ' ' LEU . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 74.12 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 72.33 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.872 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.584 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 105' ' ' ILE . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.156 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.472 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 10' ' ' ILE . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.53 110.946 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.751 0.31 . . . . 65.44 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.651 HG12 HG12 ' A' ' 132' ' ' VAL . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.08 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.02 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' HD13 ' A' ' 131' ' ' ILE . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.54 110.926 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 95' ' ' LEU . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 53.14 111.026 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 61.03 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 64' ' ' VAL . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 53.03 111.074 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.481 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.782 HG22 HG21 ' A' ' 34' ' ' VAL . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.22 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 31' ' ' ILE . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 71.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 63.04 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 48' ' ' ILE . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.825 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.11 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 41' ' ' ASN . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 63.33 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 53.13 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.725 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.42 111.158 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.23 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 105' ' ' ILE . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 95' ' ' LEU . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' VAL . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.673 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.108 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.32 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 62.55 112.533 179.874 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.854 0.359 . . . . 63.51 111.172 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.596 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.855 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.14 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.737 ' CB ' HD22 ' A' ' 59' ' ' LEU . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 97' ' ' VAL . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 95' ' ' LEU . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 52.15 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 54.31 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 52.11 112.446 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 65.03 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG23 ' HA ' ' A' ' 53' ' ' GLU . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.817 HD11 HD13 ' A' ' 60' ' ' LEU . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.089 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 114' ' ' GLU . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 54.43 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 55.14 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 74.12 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.511 ' CG1' HD23 ' A' ' 119' ' ' LEU . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 72.33 111.147 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 127' ' ' VAL . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 62.41 111.009 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.576 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.52 111.136 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 105' ' ' ILE . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 71.52 111.195 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.572 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.651 HG12 HG12 ' A' ' 10' ' ' ILE . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.935 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.757 0.313 . . . . 65.44 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.755 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.096 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 61.54 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 95' ' ' LEU . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 61' ' ' VAL . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB2' HG13 ' A' ' 123' ' ' VAL . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 53.14 111.141 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 61.03 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.691 HG23 HG23 ' A' ' 64' ' ' VAL . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 53.03 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' N ' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 71.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 63.04 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.6 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 60' ' ' LEU . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.33 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 53.13 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.751 HG23 HD11 ' A' ' 60' ' ' LEU . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.15 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 74.23 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.933 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.803 HD13 HD11 ' A' ' 105' ' ' ILE . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG11 ' OG ' ' A' ' 15' ' ' SER . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 71.21 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 HG23 ' A' ' 28' ' ' THR . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 72.21 111.124 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.32 112.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 61.4 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.55 112.515 179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.455 HG11 ' OD2' ' A' ' 30' ' ' ASP . 5.7 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.51 111.117 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 64' ' ' VAL . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.14 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' GLU . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 52.15 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 54.31 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 52.11 112.543 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 63.32 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HA ' ' A' ' 53' ' ' GLU . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.803 HD11 HD13 ' A' ' 60' ' ' LEU . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.791 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.139 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 55.14 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 74.12 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 72.33 111.194 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 HG23 ' A' ' 110' ' ' VAL . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.093 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.456 ' CG1' HD12 ' A' ' 105' ' ' ILE . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.493 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.755 HG12 ' CD1' ' A' ' 10' ' ' ILE . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.887 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.858 0.361 . . . . 65.44 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.661 HG12 HG12 ' A' ' 132' ' ' VAL . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.117 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 61.54 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB2' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 72.02 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 62.04 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 61.03 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.23 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.757 HG23 HG23 ' A' ' 64' ' ' VAL . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 53.03 111.087 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 HG21 ' A' ' 34' ' ' VAL . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 71.22 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.687 HG21 HG22 ' A' ' 31' ' ' ILE . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 36' ' ' GLU . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 63.04 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.803 ' HB2' HG23 ' A' ' 48' ' ' ILE . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.949 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 60' ' ' LEU . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.455 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 64.41 111.169 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 63.33 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 53.13 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.711 ' HA ' HG23 ' A' ' 104' ' ' ILE . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 103' ' ' GLY . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.115 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 50.43 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 74.23 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 31' ' ' ILE . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 63.34 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 105' ' ' ILE . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 HD23 ' A' ' 95' ' ' LEU . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.089 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.757 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.149 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.32 112.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 62.55 112.528 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 66' ' ' PRO . 6.6 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.809 0.338 . . . . 63.51 111.108 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.14 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.441 ' CB ' HD23 ' A' ' 59' ' ' LEU . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 97' ' ' VAL . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.608 HG23 HD11 ' A' ' 95' ' ' LEU . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 52.15 111.11 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 54.31 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 63.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 52.11 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 63.32 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 65.03 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.711 HG23 ' HA ' ' A' ' 53' ' ' GLU . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 60' ' ' LEU . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.455 ' HB ' HD11 ' A' ' 50' ' ' ILE . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 127' ' ' VAL . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.155 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 54.43 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 55.14 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 74.12 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 72.33 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 110' ' ' VAL . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 54.52 111.122 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 64.34 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.523 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.661 HG12 HG12 ' A' ' 10' ' ' ILE . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.922 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.761 0.315 . . . . 65.44 110.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.684 HG12 HG12 ' A' ' 132' ' ' VAL . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 55.02 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.946 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 53.14 111.122 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.02 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 74.45 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 61.03 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.946 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.514 HG23 HG23 ' A' ' 64' ' ' VAL . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 53.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.569 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.646 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 60' ' ' LEU . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 41' ' ' ASN . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 108' ' ' VAL . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 53.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.79 ' HA ' HG23 ' A' ' 104' ' ' ILE . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.638 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 72.42 111.143 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 50.43 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.573 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.922 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 105' ' ' ILE . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 95' ' ' LEU . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.059 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 93' ' ' THR . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 72.21 111.133 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.32 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 61.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 62.55 112.478 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 30' ' ' ASP . 5.1 p . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.36 . . . . 63.51 111.099 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.651 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 53.42 110.872 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 63' ' ' LYS . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.14 111.121 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 96' ' ' ARG . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.58 ' N ' HD23 ' A' ' 95' ' ' LEU . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 52.15 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 54.31 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.35 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 52.11 112.424 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.32 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.03 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 60' ' ' LEU . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.426 ' HB ' HD11 ' A' ' 50' ' ' ILE . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.31 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' HD12 ' A' ' 126' ' ' LEU . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.43 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 55.14 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 62.43 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 74.12 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 62.41 110.886 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 54.52 111.165 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 64.11 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.058 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.34 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.684 HG12 HG12 ' A' ' 10' ' ' ILE . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.902 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.749 0.309 . . . . 65.44 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.742 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.084 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 55.02 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 53.14 111.121 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.04 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 61.03 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 53.03 111.139 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.539 ' N ' HG21 ' A' ' 64' ' ' VAL . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 63.04 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.744 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 64.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 60' ' ' LEU . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.744 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.082 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 63.33 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 53.13 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.713 ' HA ' HG23 ' A' ' 104' ' ' ILE . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.742 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.108 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 50.43 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 74.23 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.638 HD13 ' CB ' ' A' ' 94' ' ' SER . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 105' ' ' ILE . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 95' ' ' LEU . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.157 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.203 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.776 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.32 112.415 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 61.4 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 62.55 112.489 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.3 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.841 0.353 . . . . 63.51 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 53.42 110.917 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.638 ' CB ' HD13 ' A' ' 59' ' ' LEU . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 97' ' ' VAL . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 52.15 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 54.31 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 63.35 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 52.11 112.457 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 65.03 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.713 HG23 ' HA ' ' A' ' 53' ' ' GLU . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.839 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HB ' HD11 ' A' ' 50' ' ' ILE . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.787 HG23 HG22 ' A' ' 127' ' ' VAL . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 54.43 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 126' ' ' LEU . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 74.12 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 72.33 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 62.41 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.787 HG22 HG23 ' A' ' 110' ' ' VAL . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.106 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.34 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.454 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 10' ' ' ILE . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.911 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 65.44 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 132' ' ' VAL . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 55.02 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 61.54 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 53.14 111.1 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.02 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.45 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 61.03 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.559 HD11 ' HG3' ' A' ' 63' ' ' LYS . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG23 ' A' ' 64' ' ' VAL . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 53.03 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.562 ' N ' HG21 ' A' ' 64' ' ' VAL . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 63.04 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 48' ' ' ILE . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 64.12 110.945 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.509 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 60' ' ' LEU . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 63.33 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 53.13 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.792 ' HA ' HG23 ' A' ' 104' ' ' ILE . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 101' ' ' GLY . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.184 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 50.43 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 74.23 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 63.34 110.869 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 HD23 ' A' ' 95' ' ' LEU . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.21 111.173 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.722 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.09 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.32 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.4 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.493 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 30' ' ' ASP . 17.4 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.885 0.374 . . . . 63.51 111.134 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 63.42 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.645 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.14 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD11 HG23 ' A' ' 97' ' ' VAL . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 52.15 111.173 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 54.31 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 63.35 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 52.11 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 65.03 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HA ' ' A' ' 53' ' ' GLU . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 60' ' ' LEU . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 55.14 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 126' ' ' LEU . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 74.12 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 16' ' ' GLU . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 72.33 111.144 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 54.52 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.666 HG12 HD13 ' A' ' 10' ' ' ILE . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.983 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.759 0.314 . . . . 65.44 110.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 132' ' ' VAL . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.52 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 55.02 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.115 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' THR . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.02 111.153 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 62.04 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 61.03 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 53.03 111.168 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 71.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.04 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB2' HG23 ' A' ' 48' ' ' ILE . 67.8 m-80 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.565 HG23 ' HB2' ' A' ' 41' ' ' ASN . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 63.33 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 53.13 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.778 ' HA ' HG23 ' A' ' 104' ' ' ILE . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.642 ' CG2' HG11 ' A' ' 97' ' ' VAL . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.171 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 50.43 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 74.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 105' ' ' ILE . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 71.21 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.32 112.367 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 62.55 112.491 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.8 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.812 0.339 . . . . 63.51 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.744 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.897 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.509 HG23 ' HD3' ' A' ' 63' ' ' LYS . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.14 111.164 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.642 HG11 ' CG2' ' A' ' 54' ' ' VAL . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 52.15 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 54.31 112.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 52.11 112.505 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 63.32 112.487 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 65.03 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.701 HD11 HD13 ' A' ' 60' ' ' LEU . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.903 HG23 HG22 ' A' ' 127' ' ' VAL . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.18 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 55.14 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 74.12 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 16' ' ' GLU . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 72.33 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 110' ' ' VAL . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 54.52 111.163 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.401 ' CG1' HD12 ' A' ' 105' ' ' ILE . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 10' ' ' ILE . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.756 0.312 . . . . 65.44 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 132' ' ' VAL . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.884 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 53.14 111.115 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.114 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 62.04 110.93 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 61.03 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.884 HD12 ' HB2' ' A' ' 17' ' ' ALA . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.74 HG23 HG23 ' A' ' 64' ' ' VAL . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.03 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 64' ' ' VAL . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG22 ' HB ' ' A' ' 34' ' ' VAL . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 71.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 63.04 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.762 HG13 HD23 ' A' ' 60' ' ' LEU . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 63.33 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 53.13 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 104' ' ' ILE . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.42 111.155 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 50.43 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 74.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 95' ' ' LEU . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.978 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.762 HD23 HG13 ' A' ' 48' ' ' ILE . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 95' ' ' LEU . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.21 111.111 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.74 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.13 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.719 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.32 112.352 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 62.55 112.507 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.4 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.769 0.318 . . . . 63.51 111.172 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.724 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.861 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.14 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 59' ' ' LEU . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 52.15 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 54.31 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.35 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 52.11 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.491 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 63.32 112.499 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 110' ' ' VAL . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 72.31 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 123' ' ' VAL . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 74.12 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.33 111.12 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.95 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.52 111.157 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.52 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 10' ' ' ILE . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.934 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.829 0.347 . . . . 63.21 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG13 HG22 ' A' ' 6' ' ' THR . 7.4 p -142.11 145.8 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 45.01 111.124 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -89.7 92.87 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 71.45 110.924 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 HG13 ' A' ' 4' ' ' VAL . 3.1 t -164.61 137.18 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 73.5 111.141 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.17 -174.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.889 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -97.75 135.35 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 55.43 111.166 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -82.33 159.43 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 65.44 110.824 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 132' ' ' VAL . 29.1 mm -128.33 116.81 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.89 156.0 21.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.882 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -142.87 111.37 6.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.35 110.904 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -107.68 148.12 29.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 61.54 110.882 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.37 155.05 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 108.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 61.11 110.876 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB2' HG13 ' A' ' 123' ' ' VAL . 10.4 pt-20 -130.61 139.85 50.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.53 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.65 99.14 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 53.14 111.108 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -82.51 136.27 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.92 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -68.45 132.06 46.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 73.34 110.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.9 t -82.73 168.3 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 72.02 111.138 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 6.33 40.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.871 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.52 -2.31 30.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.897 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 78.02 1.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 52.15 112.512 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 169.93 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 61.03 112.365 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -140.0 -42.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.861 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -164.64 155.92 15.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.924 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.53 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.0 tt -75.54 139.5 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.14 111.151 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.78 HG23 HG23 ' A' ' 64' ' ' VAL . 13.9 t -139.69 174.08 10.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 53.03 111.119 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 120.94 36.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.879 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.8 t70 -146.06 83.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 64.35 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.5 mm -110.68 81.8 2.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 73.13 111.129 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 151.77 69.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 63.79 28.03 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.867 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.3 p -96.43 155.09 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.154 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.88 156.61 40.44 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.782 -0.723 . . . . 71.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -72.02 -25.11 61.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 75.14 110.883 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.88 -38.22 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.65 -23.4 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.089 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -113.03 15.24 19.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.944 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -72.56 -28.6 62.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 63.04 110.878 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.9 m120 -101.89 -27.07 13.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 71.13 110.902 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -52.0 136.02 29.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 39.6 p30 -96.52 -175.1 3.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.874 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.27 -17.88 64.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.843 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -76.9 -22.15 53.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.873 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.15 22.04 26.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 63.25 112.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -134.47 139.59 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.782 0.325 . . . . 74.45 111.148 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.61 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.6 mm -68.2 138.72 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.145 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.94 163.31 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.863 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.489 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.4 mm -70.59 153.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 64.41 111.091 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 11.67 72.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 63.33 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.45 137.86 41.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 53.13 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.754 ' HA ' HG23 ' A' ' 104' ' ' ILE . 44.3 mt-10 -66.76 -174.85 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.35 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 p -137.03 142.34 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 72.42 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.6 166.09 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.92 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -60.82 142.76 55.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.87 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.66 3.43 86.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 50.43 112.497 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -101.73 95.56 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 74.23 110.853 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.0 OUTLIER -66.56 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 63.34 110.899 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD23 HG13 ' A' ' 48' ' ' ILE . 3.4 mt 64.88 13.41 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.51 110.901 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' HD21 ' A' ' 95' ' ' LEU . 93.1 t -151.67 140.21 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 71.21 111.077 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.55 100.49 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.737 -0.744 . . . . 71.04 112.503 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' HG13 ' A' ' 64' ' ' VAL . 15.3 ttmm -135.43 116.03 13.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.824 0.345 . . . . 74.02 110.955 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.78 HG23 HG23 ' A' ' 28' ' ' THR . 2.2 m -155.05 128.35 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 159.29 29.87 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.579 0.704 . . . . 75.31 111.164 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.71 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.7 Cg_endo -69.76 147.41 62.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 72.32 112.313 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -105.11 172.18 6.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.4 110.88 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -81.6 -170.17 43.64 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 62.55 112.538 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.32 -53.68 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 70.31 111.145 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -66.33 -26.9 67.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 74.35 111.187 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -53.2 -30.56 38.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 72.01 110.861 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -52.16 164.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 60.42 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.2 p -111.55 165.8 11.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.145 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.41 -31.84 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 64.11 111.083 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.14 -35.46 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.909 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -70.94 -31.68 68.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 72.21 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -63.93 -48.97 74.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.71 -26.05 59.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.675 HD12 ' HB ' ' A' ' 82' ' ' ILE . 19.3 tp -60.33 -22.25 63.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.906 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -56.17 -42.54 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.829 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.58 -22.36 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.02 111.109 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.675 ' HB ' HD12 ' A' ' 79' ' ' LEU . 24.6 mm -75.21 -50.68 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.32 111.139 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -85.46 -25.91 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.52 -19.78 51.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 34.15 112.483 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -148.82 138.25 21.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.366 . . . . 71.23 110.898 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.47 157.86 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.886 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.53 133.39 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 63.11 111.067 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.38 134.51 57.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -115.8 133.15 56.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.911 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.6 m -131.99 177.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.51 111.102 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.5 ' O ' HG12 ' A' ' 64' ' ' VAL . 15.3 mtp180 -109.94 144.45 38.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 63.42 110.88 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.5 p-10 -84.88 96.85 9.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.868 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.9 p -105.23 13.85 29.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 51.14 111.151 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.667 ' HB2' HD22 ' A' ' 59' ' ' LEU . 17.8 m -70.16 169.28 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 71.52 110.864 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.1 pp -79.74 149.75 31.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.947 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -97.88 131.09 44.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.855 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 60' ' ' LEU . 25.3 t -112.87 129.69 24.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 52.15 111.135 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.69 44.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 54.31 112.366 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -65.15 136.28 56.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 63.35 110.833 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.52 -50.84 4.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 52.11 112.526 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.99 -35.65 3.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 63.32 112.487 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.84 -39.14 3.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 65.03 112.476 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -134.15 -158.99 8.73 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.698 -0.763 . . . . 75.45 112.415 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.754 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.0 mt -133.61 147.58 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 75.13 111.112 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.532 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.0 mm -64.97 101.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.41 111.132 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.5 -23.93 12.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.845 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.14 30.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.896 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 50' ' ' ILE . 94.0 t -150.47 123.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 62.13 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -101.15 133.66 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.913 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.4 p -140.1 119.47 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.081 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -106.19 141.55 37.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 62.23 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -128.22 138.64 52.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -60.85 -33.44 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.876 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.08 -28.67 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.871 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.13 -19.33 60.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.08 21.97 7.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 55.14 112.502 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.84 117.17 32.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 73.13 110.861 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -67.61 146.96 53.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.2 mt -130.77 158.9 73.52 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.585 0.707 . . . . 75.22 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 167.39 24.61 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.699 2.266 . . . . 75.1 112.314 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 121.97 8.64 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.644 2.23 . . . . 74.12 112.354 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.58 -12.97 47.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 64.21 112.528 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.2 t -106.05 143.92 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.84 0.352 . . . . 72.33 111.101 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -113.01 -27.72 7.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -148.32 167.14 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.68 124.31 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.912 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.51 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.2 p -147.02 130.99 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 54.52 111.114 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -122.77 151.0 42.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 64.11 110.842 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 105' ' ' ILE . 58.0 t -112.97 145.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.095 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -119.76 120.86 37.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 64.34 110.973 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.511 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.45 126.22 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 75.34 111.122 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.49 HG12 ' CD1' ' A' ' 10' ' ' ILE . 19.1 m -94.43 122.36 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.24 111.166 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.669 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -73.47 126.57 30.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.871 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -107.29 130.13 54.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.922 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -140.48 134.36 30.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.862 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -133.34 146.17 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.91 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.43 169.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 52.43 111.083 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 t -92.63 128.47 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 33.3 110.879 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.14 134.88 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.904 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.03 -21.06 7.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 65.11 112.485 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.325 . . . . 74.13 110.821 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.514 ' N ' ' HG ' ' A' ' 138' ' ' SER . 81.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.342 . . . . 63.21 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.41 130.03 73.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 45.01 111.061 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -61.66 144.51 54.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.922 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 t -138.9 159.09 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.5 111.138 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.31 -174.59 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 74.54 110.851 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.738 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.3 mp -95.86 125.24 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 55.43 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -83.02 159.29 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 65.44 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.575 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -124.3 117.69 51.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 72.52 111.108 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.62 157.46 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.854 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -142.57 111.34 6.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.837 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -111.51 149.42 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 61.54 110.861 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -115.76 134.16 55.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.103 -0.499 . . . . 63.43 110.852 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 107.84 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.11 110.812 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -130.12 144.9 51.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.2 110.88 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.23 99.84 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 53.14 111.111 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -82.77 141.78 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 74.51 110.835 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -71.99 132.71 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.875 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -84.38 168.39 15.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.164 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 6.09 41.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.862 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.1 0.03 37.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.879 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.61 78.16 1.29 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.701 -0.762 . . . . 52.15 112.432 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.05 25.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.262 . . . . 61.03 112.377 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -139.8 -41.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.32 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.4 156.86 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.953 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.2 tt -78.75 141.34 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.14 111.158 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.737 HG23 HG23 ' A' ' 64' ' ' VAL . 9.4 t -145.14 179.43 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 53.03 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.64 125.27 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.849 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HG21 ' A' ' 64' ' ' VAL . 15.1 t70 -148.27 86.73 1.56 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 64.35 110.875 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.79 81.43 2.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.13 111.178 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.63 151.65 69.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 74.13 112.409 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.49 28.36 15.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 71.22 110.805 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.87 154.09 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 74.44 111.111 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.8 158.87 39.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.768 . . . . 71.54 112.538 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.13 -26.69 62.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 75.14 110.895 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.89 -37.89 76.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.872 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -21.36 64.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.094 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -115.12 15.24 17.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.909 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -73.93 -25.78 60.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 63.04 110.898 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.835 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.4 m120 -102.57 -27.92 12.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 71.13 110.915 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.83 140.76 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.92 -170.34 1.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 54.04 110.891 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -68.41 -15.94 63.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.918 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -76.97 -21.84 54.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.912 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.35 18.5 35.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 63.25 112.487 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -135.01 144.3 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 74.45 111.153 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.835 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.3 mm -67.95 131.88 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.51 111.11 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -66.18 157.2 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.7 mt -66.8 148.14 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 64.41 111.12 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.91 60.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 63.33 112.512 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.97 130.73 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 53.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.779 ' HA ' HG23 ' A' ' 104' ' ' ILE . 80.9 mt-10 -67.44 135.59 53.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 65.35 110.934 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.696 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.7 p -91.65 143.65 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.156 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -155.56 176.19 12.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.943 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -61.4 141.65 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.84 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.92 1.66 86.78 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 50.43 112.464 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.86 102.1 8.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.801 0.334 . . . . 74.23 110.874 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.68 -24.91 53.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.906 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.696 HD11 ' CG2' ' A' ' 54' ' ' VAL . 8.9 mt 66.52 11.83 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.917 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.9 t -151.65 127.76 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.116 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.93 100.79 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.459 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.3 tptm -134.59 125.58 27.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 74.02 110.933 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.737 HG23 HG23 ' A' ' 28' ' ' THR . 0.5 OUTLIER -157.86 130.48 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.21 111.133 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.09 159.11 30.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.523 0.678 . . . . 75.31 111.171 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.633 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.4 Cg_endo -69.77 145.97 58.71 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.773 2.315 . . . . 72.32 112.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -117.13 171.57 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 61.4 110.915 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.56 153.08 19.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 62.55 112.482 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 t -73.23 -25.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.38 . . . . 70.31 111.17 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.91 -24.16 60.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 74.35 111.219 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.12 37.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -98.33 172.14 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 60.42 110.881 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -102.24 161.14 13.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.121 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.96 -33.75 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 64.11 111.036 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.559 ' O ' HD23 ' A' ' 79' ' ' LEU . 16.0 mt-10 -57.05 -45.18 83.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.924 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.46 -29.73 68.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 72.21 110.939 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -65.4 -49.11 70.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.905 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -78.9 -21.62 47.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 75' ' ' GLU . 2.1 mm? -73.12 -23.53 60.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.924 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -58.04 -44.86 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.01 110.849 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.78 -23.84 65.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 71.02 111.071 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.7 mm -71.03 -57.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.17 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -75.0 -25.85 59.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.907 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.02 29.71 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 34.15 112.479 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -173.07 122.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 71.23 110.9 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -55.43 143.88 27.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.866 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -133.92 137.36 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.11 111.11 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -76.18 140.5 41.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 72.01 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -117.05 156.78 26.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.918 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.8 m -131.87 176.95 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 63.51 111.124 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -114.93 126.95 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.839 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -70.18 98.79 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 53.42 110.91 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.9 p -110.75 20.61 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 51.14 111.149 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -70.64 169.65 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.805 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' VAL . 1.2 pp -76.64 149.98 36.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 71.33 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -97.87 122.86 41.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 63.41 110.809 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 95' ' ' LEU . 3.9 t -103.07 132.33 21.25 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.648 0.737 . . . . 52.15 111.089 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 54.31 112.385 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -65.17 122.83 17.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.793 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.446 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.29 -50.51 4.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 52.11 112.493 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.76 3.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 63.32 112.514 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.15 -39.23 2.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.68 -0.772 . . . . 65.03 112.473 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.7 -159.79 9.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 75.45 112.486 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 53' ' ' GLU . 56.1 mt -128.0 149.26 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.824 0.345 . . . . 75.13 111.105 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.675 HD11 HD13 ' A' ' 60' ' ' LEU . 29.7 mm -65.26 102.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.41 111.179 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -105.22 -26.45 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.15 110.85 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.05 146.89 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.12 110.821 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.4 t -149.94 119.67 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 62.13 111.139 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.524 ' O ' HG13 ' A' ' 127' ' ' VAL . 24.6 mmtt -100.96 144.0 30.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.05 110.91 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -147.33 121.98 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.161 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -113.5 143.37 44.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.482 . . . . 62.23 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -129.19 134.02 47.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 74.51 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 -54.12 -30.53 49.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 54.43 110.846 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.03 -30.26 67.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.883 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -73.87 -21.7 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.43 110.933 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.11 21.56 7.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.477 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -92.81 110.06 21.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 73.13 110.863 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.95 143.56 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.2 mt -135.74 158.94 73.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 75.22 110.918 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.69 23.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.696 2.264 . . . . 75.1 112.317 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 122.85 9.49 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.258 . . . . 74.12 112.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.31 -13.67 47.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.482 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.412 HG13 ' HB2' ' A' ' 16' ' ' GLU . 84.6 t -105.48 140.46 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.368 . . . . 72.33 111.072 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -109.83 -33.23 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.925 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.15 166.42 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 74.32 110.858 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -140.08 131.93 27.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.886 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.659 ' N ' HD13 ' A' ' 126' ' ' LEU . 28.7 t -145.64 136.1 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 54.52 111.038 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -127.87 128.96 46.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 64.11 110.841 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.404 ' CG1' HD12 ' A' ' 105' ' ' ILE . 70.4 t -97.56 145.69 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.092 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -122.73 124.11 42.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.949 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.5 mt -121.76 134.92 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 111.075 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.575 HG12 ' CD1' ' A' ' 10' ' ' ILE . 12.6 m -110.05 120.43 61.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 73.24 111.108 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.738 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -69.83 141.83 53.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.922 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -96.45 157.57 15.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 55.02 110.938 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.547 ' NH1' HD11 ' A' ' 8' ' ' ILE . 16.6 mmt-85 -52.21 138.36 26.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.9 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 146.16 50.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.951 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.454 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.36 152.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 52.43 111.14 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.514 ' HG ' ' N ' ' A' ' 3' ' ' ASP . 3.6 t -62.66 115.8 4.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 33.3 110.859 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.54 -60.33 3.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.858 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.64 -24.33 32.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.712 -0.756 . . . . 65.11 112.488 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 74.13 110.806 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.794 0.33 . . . . 63.21 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.21 136.03 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 45.01 111.087 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -108.09 135.4 49.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.891 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -113.14 -175.68 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.14 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -177.16 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 74.54 110.845 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.52 125.92 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 55.43 111.156 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -123.45 159.21 29.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 65.44 110.841 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.701 HD13 HG12 ' A' ' 132' ' ' VAL . 37.2 mm -113.7 118.74 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 72.52 111.134 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -86.62 160.6 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 55.02 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -142.57 111.69 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -109.64 144.34 38.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 61.54 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -115.88 149.57 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.1 107.99 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.875 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.5 pt-20 -126.73 145.07 50.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.098 -0.501 . . . . 71.2 110.854 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -78.74 97.66 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 53.14 111.071 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -83.72 133.92 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -63.46 131.79 49.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.834 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 t -81.77 167.8 18.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 72.02 111.101 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 6.35 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.845 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 -2.97 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.989 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.91 78.32 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 52.15 112.527 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 2.267 . . . . 61.03 112.278 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -140.15 -42.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.474 . . . . 75.32 110.88 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.95 156.72 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.489 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.1 tt -75.79 145.82 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.103 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.725 HG23 HG23 ' A' ' 64' ' ' VAL . 11.7 t -152.85 178.26 9.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 53.03 111.151 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 121.96 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.848 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 14.6 t70 -148.13 83.07 1.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.797 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.559 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.4 mp -116.23 81.46 10.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 73.13 111.124 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 157.47 60.2 Favored 'Trans proline' 0 C--O 1.23 0.105 0 C-N-CA 122.726 2.284 . . . . 74.13 112.34 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 63.42 21.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.91 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.559 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.8 p -89.35 152.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.149 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.77 138.97 24.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 71.54 112.459 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -55.16 -31.88 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 75.14 110.814 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 75.52 110.848 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.16 -21.37 64.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.092 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 34' ' ' VAL . 4.3 pp -118.86 15.23 13.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 75.42 110.954 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -70.36 -29.7 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 63.04 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.475 ' HB2' HG23 ' A' ' 48' ' ' ILE . 70.7 m-20 -105.74 -23.87 12.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.923 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 140.07 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -102.79 -173.99 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 54.04 110.842 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.93 -19.69 65.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.883 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -76.85 -22.06 54.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.849 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.76 8.6 58.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 63.25 112.448 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 p -118.08 140.0 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 74.45 111.056 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.608 HG13 HD23 ' A' ' 60' ' ' LEU . 36.6 mm -67.91 137.99 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.156 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -71.66 163.4 27.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.0 mm -70.45 152.99 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.12 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.58 11.81 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.541 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.94 132.08 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.739 0.305 . . . . 53.13 111.101 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.77 ' HA ' HG23 ' A' ' 104' ' ' ILE . 3.7 tm-20 -70.74 138.8 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 65.35 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.9 p -91.63 145.05 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.11 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -157.05 173.23 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.921 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -56.46 142.89 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.852 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.92 3.24 90.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 50.43 112.485 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -107.4 94.77 5.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 74.23 110.87 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.55 -26.96 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.885 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD23 HG13 ' A' ' 48' ' ' ILE . 17.8 mt 62.72 16.57 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.944 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.502 HG11 HD23 ' A' ' 95' ' ' LEU . 9.2 p -159.68 137.82 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.473 . . . . 71.21 111.126 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.44 100.68 1.75 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.63 ' NZ ' HG23 ' A' ' 65' ' ' THR . 19.4 tptp -138.37 114.63 10.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 74.02 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.754 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.5 OUTLIER -146.1 127.87 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.105 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.63 HG23 ' NZ ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -100.58 158.59 31.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.583 0.706 . . . . 75.31 111.186 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.3 Cg_endo -69.76 157.02 61.83 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.713 2.276 . . . . 72.32 112.303 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -119.56 174.66 6.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.942 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.22 152.4 19.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 62.55 112.539 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.19 -28.47 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 70.31 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 74.35 111.048 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.52 -31.0 71.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -53.35 151.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 60.42 110.962 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.1 p -110.5 164.73 12.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 73.31 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.37 62.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 64.11 111.106 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -61.19 -35.29 76.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.844 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -79.41 -42.86 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.867 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -52.47 -48.1 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.849 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.37 -28.15 62.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.921 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 78' ' ' LEU . 11.9 tp -58.8 -25.41 63.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 73.12 110.993 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.36 -44.02 88.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.506 . . . . 75.01 110.87 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.9 -24.91 64.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 71.02 111.113 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.1 -59.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.176 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -75.06 -26.04 59.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 72.31 110.816 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.6 31.58 81.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 34.15 112.513 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -150.29 133.95 16.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 71.23 110.877 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -55.74 125.41 21.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.963 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.39 117.1 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 63.11 111.091 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.35 155.08 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.813 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.99 142.32 47.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.931 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.69 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.3 m -136.8 179.77 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 63.51 111.12 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.31 126.57 54.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 63.42 110.913 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.754 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.5 p30 -88.5 114.46 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 53.42 110.838 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -116.28 16.99 15.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 51.14 111.087 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.622 ' HB2' HD22 ' A' ' 59' ' ' LEU . 51.7 m -59.34 169.7 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.52 110.846 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.621 ' CD1' HG23 ' A' ' 97' ' ' VAL . 3.6 pp -80.29 150.08 30.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -97.77 124.83 42.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 63.41 110.894 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.621 HG23 ' CD1' ' A' ' 95' ' ' LEU . 4.3 t -108.32 132.88 20.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 52.15 111.13 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.97 47.72 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 54.31 112.363 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 p-80 -65.26 134.34 53.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.815 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.61 -50.55 4.34 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.767 -0.73 . . . . 52.11 112.493 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.487 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.1 -35.33 3.57 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 63.32 112.486 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.49 -38.37 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 65.03 112.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.8 -157.85 8.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 75.45 112.507 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.77 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.5 mt -135.36 147.02 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.13 111.15 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.536 HD11 HD13 ' A' ' 60' ' ' LEU . 29.2 mm -65.51 103.69 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.088 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -105.43 -24.76 12.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.788 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -151.73 152.11 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.818 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.6 t -150.62 125.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.13 111.153 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -102.51 133.64 47.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.05 110.855 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 110' ' ' VAL . 5.9 p -139.16 120.84 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -104.55 145.56 30.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 62.23 110.804 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.07 135.76 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 74.51 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.06 -27.16 52.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 54.43 110.865 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.85 -24.56 64.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 73.01 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -73.94 -21.79 59.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.886 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.93 7.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 55.14 112.475 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -97.95 133.57 42.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.805 0.336 . . . . 73.13 110.816 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 62.43 110.936 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 126' ' ' LEU . 9.1 mt -126.27 157.91 68.51 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.649 0.738 . . . . 75.22 110.879 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 167.43 24.6 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 75.1 112.313 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 126.64 13.57 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.12 112.342 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.86 55.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.812 -0.709 . . . . 64.21 112.524 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 16' ' ' GLU . 79.2 t -107.91 137.45 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.34 . . . . 72.33 111.091 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -106.97 -30.9 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.56 166.93 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.63 125.75 13.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.914 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.1 p -147.29 130.59 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 54.52 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -120.58 154.85 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.5 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.9 t -114.33 151.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.147 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.62 112.81 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.34 110.892 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.439 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -116.76 127.11 74.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.079 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.701 HG12 HD13 ' A' ' 10' ' ' ILE . 29.5 m -104.5 138.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.143 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -94.17 116.07 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.907 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -118.47 157.22 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 55.02 110.911 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -136.99 141.22 42.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -94.78 144.91 25.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.926 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.41 154.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 52.43 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 30.8 t -61.25 121.46 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 33.3 110.884 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -111.22 55.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.933 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 110.77 -21.52 23.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 65.11 112.52 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.316 . . . . 74.13 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.889 0.375 . . . . 63.21 110.829 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -122.54 144.39 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 45.01 111.149 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -134.97 157.55 46.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 71.45 110.932 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.542 HG21 ' HE3' ' A' ' 136' ' ' LYS . 1.9 t -57.83 158.48 6.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 73.5 111.15 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.34 -175.99 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.862 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 135' ' ' ARG . 4.5 mp -92.23 134.23 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 55.43 111.067 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -121.18 159.21 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.845 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.728 ' CD1' HG12 ' A' ' 132' ' ' VAL . 36.0 mm -120.65 118.24 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 72.52 111.144 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.28 162.35 19.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 55.02 110.865 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -142.42 111.75 6.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.906 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -109.86 143.51 39.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.905 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -115.63 141.87 47.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.91 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.06 108.0 2.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 61.11 110.842 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -128.69 136.2 50.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.043 -0.526 . . . . 71.2 110.879 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.29 97.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.084 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -82.22 127.61 33.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.858 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -62.71 135.64 57.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.829 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 t -84.55 166.34 17.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 72.02 111.111 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.02 6.19 40.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.45 110.872 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.31 -0.74 35.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.04 110.982 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.83 78.81 1.33 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 52.15 112.568 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.71 172.06 13.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 2.252 . . . . 61.03 112.33 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.88 -44.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.859 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -161.73 156.93 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.78 HD11 ' HG3' ' A' ' 63' ' ' LYS . 8.3 tt -80.57 139.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.154 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 64' ' ' VAL . 14.3 t -142.21 174.86 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 53.03 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 120.67 36.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 74.13 110.918 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.2 t70 -147.81 89.21 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 64.35 110.932 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.55 82.04 2.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.659 0.743 . . . . 73.13 111.11 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 153.87 68.61 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.747 2.298 . . . . 74.13 112.316 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.5 25.95 14.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG13 HD23 ' A' ' 39' ' ' LEU . 9.8 p -96.48 157.57 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.111 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.47 158.74 36.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.456 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -71.96 -28.38 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 75.14 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.2 -36.97 74.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.863 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -22.67 63.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 73.3 111.147 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 HG13 ' A' ' 34' ' ' VAL . 4.2 pp -111.58 15.37 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.956 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -74.46 -23.9 58.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.882 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.766 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.7 m120 -106.37 -26.68 11.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -52.65 138.9 27.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 64.12 110.918 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.15 -172.5 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.04 110.87 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -62.28 -18.33 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.834 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -77.02 -21.46 54.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 71.11 110.878 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.514 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.97 -7.97 67.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.459 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.8 t -105.96 144.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 74.45 111.146 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.766 HG23 ' HB2' ' A' ' 41' ' ' ASN . 39.7 mm -67.96 139.47 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -73.51 157.23 37.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.22 146.67 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.13 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.94 9.22 66.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 63.33 112.483 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.89 51.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.676 0.274 . . . . 53.13 111.078 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HA ' HG23 ' A' ' 104' ' ' ILE . 27.0 mt-10 -66.92 137.79 56.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 65.35 110.862 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.697 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.5 p -91.77 146.46 6.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.062 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -159.07 176.26 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.45 142.35 17.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.881 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.8 3.17 87.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 50.43 112.493 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -107.09 90.99 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 74.23 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.623 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mp -68.93 -22.5 64.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 63.34 110.936 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.939 HD13 HD11 ' A' ' 105' ' ' ILE . 35.9 mt 63.02 16.16 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.912 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG11 HD23 ' A' ' 95' ' ' LEU . 8.3 p -161.68 136.25 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.21 111.162 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.12 100.48 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 71.04 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.78 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.0 mttp -135.36 120.75 19.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 74.02 110.842 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 1.4 m -155.94 123.65 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.195 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.495 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.92 158.75 31.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 75.31 111.134 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.557 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.74 155.81 65.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.23 . . . . 72.32 112.364 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -120.99 170.66 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.4 110.86 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.77 157.71 18.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 62.55 112.534 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -77.54 -33.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.955 0.407 . . . . 70.31 111.146 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -65.08 -28.18 69.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.35 111.077 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -99.26 38.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.817 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 76' ' ' GLU . 9.4 tp -100.22 165.92 11.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 60.42 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.8 p -97.08 154.33 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.088 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.71 -31.78 66.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 64.11 111.077 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.78 -35.02 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 73.13 110.855 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 72' ' ' LEU . 51.1 mm-40 -65.6 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.849 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -69.84 -49.1 55.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 75.45 110.828 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.55 -27.3 60.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.932 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.28 -25.49 67.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.975 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -59.14 -42.95 91.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.828 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.75 -24.91 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 71.02 111.082 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.1 mm -69.07 -58.97 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.107 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -76.45 -25.97 54.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.865 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.16 37.96 87.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 34.15 112.547 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -168.05 138.55 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 71.23 110.926 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.63 129.31 40.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.82 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -123.25 155.91 36.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 63.11 111.084 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -104.69 138.27 41.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 72.01 110.854 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mp0 -115.2 137.59 51.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.919 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 m -131.75 174.92 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 63.51 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -111.55 129.07 56.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 63.42 110.864 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.518 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.7 p-10 -74.04 97.9 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.898 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.576 HG23 ' HB3' ' A' ' 63' ' ' LYS . 10.1 t -102.26 19.04 19.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 51.14 111.143 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.623 ' HB2' HD22 ' A' ' 59' ' ' LEU . 35.7 m -76.37 169.87 17.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.865 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.654 HD11 HG23 ' A' ' 97' ' ' VAL . 1.5 pp -79.68 149.89 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.941 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.31 129.86 44.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 63.41 110.9 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.654 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -111.94 132.89 21.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.655 0.74 . . . . 52.15 111.124 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 167.7 23.68 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.722 2.282 . . . . 54.31 112.338 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -65.39 122.51 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 63.35 110.824 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.86 -50.13 4.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.714 -0.755 . . . . 52.11 112.406 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.21 -34.88 3.97 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.492 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.8 -38.72 3.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 65.03 112.467 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.32 -159.77 9.2 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.45 112.464 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.771 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.0 mt -131.57 150.83 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 75.13 111.166 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.939 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -64.42 104.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.41 111.143 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -105.15 -33.67 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.15 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -140.51 153.2 46.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.79 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.0 t -150.55 123.76 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 62.13 111.139 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -107.5 129.86 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 73.05 110.977 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.62 126.65 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.31 111.124 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.2 m-85 -109.72 147.49 33.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 62.23 110.883 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -131.78 133.31 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 74.51 110.857 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.27 -39.06 69.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 54.43 110.932 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.25 -28.37 66.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 73.01 110.92 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -74.28 -14.0 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.827 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 21.76 7.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 55.14 112.514 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.97 113.12 24.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.824 0.345 . . . . 73.13 110.864 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -75.92 140.28 42.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 62.43 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB3' ' HD2' ' A' ' 120' ' ' PRO . 4.5 mt -138.14 155.24 74.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.22 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 123' ' ' VAL . 53.1 Cg_endo -69.84 169.23 19.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.595 2.197 . . . . 75.1 112.321 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.19 15.69 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 74.12 112.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 115.02 -17.43 17.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.426 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 120' ' ' PRO . 6.9 p -114.42 146.73 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 72.33 111.12 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -115.16 -26.84 7.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -148.57 165.94 29.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.1 tm? -144.23 126.48 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.41 110.878 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.54 ' N ' HD13 ' A' ' 126' ' ' LEU . 3.5 p -147.09 133.33 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 54.52 111.157 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.533 ' HE ' HD11 ' A' ' 126' ' ' LEU . 68.7 mtt180 -123.22 151.41 42.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 64.11 110.897 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 105' ' ' ILE . 9.9 t -111.47 155.21 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.098 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.92 112.71 15.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 64.34 110.911 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.419 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -115.96 121.56 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 75.34 111.065 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.728 HG12 ' CD1' ' A' ' 10' ' ' ILE . 27.1 m -97.16 138.29 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 73.24 111.167 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.7 114.01 25.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 73.53 110.888 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 157.43 35.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 55.02 110.85 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.416 ' HD2' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -64.67 122.48 16.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.916 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.542 ' HE3' HG21 ' A' ' 6' ' ' THR . 11.1 pttp -116.6 146.28 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.856 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' A' ' 141' ' ' ASP . 2.9 pp -51.42 166.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 52.43 111.165 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.404 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.7 p -52.07 123.38 10.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 33.3 110.818 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -55.5 150.69 11.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.951 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.07 -24.63 31.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.725 -0.75 . . . . 65.11 112.461 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 137' ' ' ILE . 17.4 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 74.13 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.828 0.347 . . . . 63.21 110.87 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.36 145.16 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 45.01 111.102 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -108.21 95.09 5.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -59.36 159.06 8.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 73.5 111.21 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -102.27 -175.06 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -86.84 130.66 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 55.43 111.126 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -106.68 159.18 16.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 65.44 110.778 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.667 HD13 HG12 ' A' ' 132' ' ' VAL . 36.9 mm -115.27 118.42 58.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.23 160.98 17.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 55.02 110.886 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -142.53 111.21 6.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.929 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -107.37 149.69 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.895 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -115.66 149.84 37.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 63.43 110.93 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.12 107.89 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.834 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -128.01 138.34 52.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.838 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.24 99.17 2.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 53.14 111.164 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.4 mmm-85 -82.86 144.49 30.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 74.51 110.826 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -77.69 134.93 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.89 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.42 167.55 17.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.02 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 6.33 39.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.45 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.68 0.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 62.04 110.918 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.73 78.34 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.679 -0.772 . . . . 52.15 112.462 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 171.21 14.9 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.721 2.281 . . . . 61.03 112.334 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -136.03 -41.31 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -168.37 156.77 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.922 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.838 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.9 tt -74.91 146.48 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 75.14 111.074 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 64' ' ' VAL . 13.0 t -152.42 177.61 10.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 53.03 111.152 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -118.63 120.35 37.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.866 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' HB3' HG21 ' A' ' 64' ' ' VAL . 21.2 t70 -148.41 87.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 64.35 110.829 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.509 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.8 mm -110.29 82.59 2.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 73.13 111.151 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.64 57.62 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 74.13 112.358 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 64.41 34.15 10.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.843 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.509 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -103.34 157.21 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.44 111.095 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.93 23.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.716 -0.754 . . . . 71.54 112.446 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -55.88 -29.05 59.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 75.14 110.864 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -69.94 -33.74 72.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.943 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.37 -21.98 66.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.097 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -115.97 15.14 16.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -70.38 -32.24 69.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.04 110.838 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.644 ' HB2' HG23 ' A' ' 48' ' ' ILE . 76.9 m-20 -101.85 -24.05 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.916 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -52.01 136.8 28.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 64.12 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.88 -172.17 2.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 54.04 110.938 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.41 -17.06 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.9 -22.1 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.885 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.32 18.5 38.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.25 112.457 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.04 140.93 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.45 111.176 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB2' ' A' ' 41' ' ' ASN . 36.4 mm -67.95 129.61 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 74.51 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -62.14 163.24 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.6 mm -68.87 152.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.92 13.75 63.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 63.33 112.559 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 131.69 51.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 53.13 111.101 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.765 ' HA ' HG23 ' A' ' 104' ' ' ILE . 8.9 mp0 -70.74 137.78 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 60' ' ' LEU . 6.5 p -91.61 145.72 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 72.42 111.136 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.27 176.0 11.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.818 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.04 143.21 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.878 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.64 2.39 90.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.471 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -119.96 101.57 7.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 74.23 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.34 110.94 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.698 HD13 HD11 ' A' ' 105' ' ' ILE . 5.0 mt 64.09 15.31 9.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.94 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.611 HG21 HD23 ' A' ' 95' ' ' LEU . 34.9 m -150.88 137.85 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 71.21 111.125 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.29 100.93 2.16 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.834 -0.698 . . . . 71.04 112.491 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -132.47 115.07 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 74.02 110.891 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 28' ' ' THR . 2.3 m -155.31 155.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.11 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.455 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -136.24 154.51 77.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.53 0.681 . . . . 75.31 111.179 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.455 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.8 Cg_endo -69.88 141.15 44.0 Favored 'Trans proline' 0 N--CA 1.466 -0.113 0 C-N-CA 122.721 2.281 . . . . 72.32 112.244 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -116.24 147.95 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 61.4 110.953 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.14 175.18 29.43 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 62.55 112.521 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -88.63 -24.47 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 70.31 111.112 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -53.9 -28.29 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 74.35 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -123.71 62.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.892 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' OE1' ' A' ' 89' ' ' GLU . 8.3 tp -108.16 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 60.42 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.0 p -93.69 160.16 14.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.208 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 64.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.16 -34.99 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.84 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.57 -30.71 57.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.8 mtt-85 -62.56 -48.98 77.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 75.45 110.919 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -69.78 -27.71 65.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 78' ' ' LEU . 2.5 tp -58.71 -24.49 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.87 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.5 -46.82 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 75.01 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.63 67.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 71.02 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.24 -55.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 73.32 111.156 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -75.0 -25.92 59.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.869 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.11 30.42 67.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 34.15 112.518 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -175.31 149.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 71.23 110.898 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 145.19 40.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 71.34 110.883 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -135.07 156.6 48.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 63.11 111.029 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 150.03 42.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.883 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' OE1' HD11 ' A' ' 72' ' ' LEU . 15.9 mm-40 -113.34 154.21 27.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.4 t -144.15 155.08 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 63.51 111.164 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -123.14 142.75 50.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 63.42 110.848 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -88.57 112.17 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.3 p -116.65 2.95 13.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 51.14 111.199 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 p -59.58 168.76 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.828 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.641 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -79.2 150.71 31.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.933 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -97.02 115.77 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.41 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.641 HG23 HD11 ' A' ' 95' ' ' LEU . 2.4 t -90.98 134.72 29.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 52.15 111.142 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 161.26 46.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 54.31 112.385 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -65.57 126.05 27.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.35 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.95 -49.44 4.01 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.684 -0.769 . . . . 52.11 112.457 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.482 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 90.19 -35.67 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.523 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.41 -38.07 3.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.03 112.454 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.51 -157.53 8.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.487 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.5 mt -134.75 147.11 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.724 0.297 . . . . 75.13 111.206 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.698 HD11 HD13 ' A' ' 60' ' ' LEU . 29.4 mm -65.07 101.38 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 72.41 111.135 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -105.28 -20.62 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.58 150.41 28.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.906 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -150.41 124.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 62.13 111.139 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.456 ' O ' HG13 ' A' ' 127' ' ' VAL . 13.2 mmtt -101.33 136.76 40.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.917 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.8 HG23 HG22 ' A' ' 127' ' ' VAL . 5.7 p -139.85 120.89 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 72.31 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 126' ' ' LEU . 12.9 m-85 -107.58 145.66 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 62.23 110.973 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -125.87 138.34 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.919 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -66.18 -30.55 71.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -59.06 -31.94 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.949 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 -17.38 60.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 22.18 7.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.44 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -84.37 121.39 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 73.13 110.832 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.95 131.22 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 62.43 110.916 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.562 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.8 mp -130.18 159.87 68.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.569 0.7 . . . . 75.22 110.945 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 166.87 26.28 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.643 2.229 . . . . 75.1 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.58 11.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 74.12 112.341 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.92 3.96 48.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.491 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.562 ' CG1' HD23 ' A' ' 119' ' ' LEU . 86.2 t -119.12 139.59 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 72.33 111.142 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -105.47 -33.32 8.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.92 167.27 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 74.32 110.987 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.8 tm? -139.79 132.56 29.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 62.41 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.8 HG22 HG23 ' A' ' 110' ' ' VAL . 40.7 t -147.2 137.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 54.52 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -127.83 127.21 43.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 64.11 110.893 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.422 ' CG1' HD12 ' A' ' 105' ' ' ILE . 73.8 t -96.81 143.3 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.52 111.128 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -116.33 126.6 53.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.892 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.5 mp -125.21 119.06 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.104 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.667 HG12 HD13 ' A' ' 10' ' ' ILE . 15.8 m -101.2 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.1 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.628 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -89.75 113.94 25.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 73.53 110.887 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -88.38 140.9 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.903 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -58.12 162.45 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.865 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -116.73 146.3 42.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.92 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.474 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.42 151.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 52.43 111.17 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.5 t -59.71 129.15 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 33.3 110.882 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.68 -34.12 46.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.17 38.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 65.11 112.459 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.813 0.34 . . . . 74.13 110.93 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.357 . . . . 63.21 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.28 147.78 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 45.01 111.141 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.14 113.45 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.852 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -127.86 -174.95 3.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 73.5 111.123 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.75 -174.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.89 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.71 112.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 55.43 111.058 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -158.12 159.19 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.798 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 HG12 HG12 ' A' ' 132' ' ' VAL . 90.8 mt -116.89 142.79 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 72.52 111.157 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 10' ' ' ILE . 5.1 mm-40 -83.75 169.23 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -142.14 111.79 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.928 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -114.47 139.7 49.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 61.54 110.949 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.68 150.99 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 63.43 110.917 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.572 ' OG ' HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -165.02 109.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 61.11 110.83 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -128.67 135.23 48.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.899 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.874 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.52 97.48 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 53.14 111.048 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -84.99 142.8 29.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.771 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -69.96 129.4 39.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.85 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 t -82.99 167.89 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.231 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 6.26 42.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 74.45 110.875 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -9.77 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 62.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 77.0 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.693 -0.765 . . . . 52.15 112.466 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 166.83 26.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 61.03 112.348 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -140.12 -44.53 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.865 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.83 157.14 13.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.853 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.4 tt -86.79 145.97 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 75.14 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 64' ' ' VAL . 12.8 t -149.86 177.34 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 53.03 111.18 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 120.4 38.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.13 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.547 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.7 t70 -148.66 89.36 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.859 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.743 HG22 HG21 ' A' ' 34' ' ' VAL . 7.6 mm -110.28 82.7 2.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 73.13 111.198 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.83 163.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 74.13 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 63.37 17.81 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.82 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG21 HG22 ' A' ' 31' ' ' ILE . 87.2 t -123.22 139.99 48.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.44 111.14 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.17 161.19 41.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.433 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.87 -24.81 61.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.932 0.396 . . . . 75.14 110.9 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -58.04 -38.21 75.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.82 -22.65 67.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.075 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 39' ' ' LEU . 4.1 pp -117.18 15.2 14.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.982 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -63.19 -32.64 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.04 110.856 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.685 ' HB2' HG23 ' A' ' 48' ' ' ILE . 79.3 m-20 -91.83 -22.35 20.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.861 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.73 140.64 18.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.12 110.903 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 p30 -106.49 -175.3 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.847 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.46 -19.12 65.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -76.88 -21.73 54.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.922 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.3 19.76 27.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.486 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -129.67 143.19 41.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 74.45 111.133 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.685 HG23 ' HB2' ' A' ' 41' ' ' ASN . 40.2 mm -67.85 133.42 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.51 111.145 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -58.8 164.54 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.811 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -78.26 152.87 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.41 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.68 14.97 69.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 63.33 112.49 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 127.24 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.737 0.303 . . . . 53.13 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 15.6 tt0 -67.25 137.92 56.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 65.35 110.862 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.844 HG23 HD11 ' A' ' 60' ' ' LEU . 6.8 p -91.82 155.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 72.42 111.086 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -160.99 175.93 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.86 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -63.35 132.23 50.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.881 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 2.29 67.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 50.43 112.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -107.12 97.2 7.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 74.23 110.83 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 94' ' ' SER . 6.1 mt -67.37 -36.94 82.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 63.34 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.844 HD11 HG23 ' A' ' 54' ' ' VAL . 8.5 mt 65.16 14.05 9.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.942 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG21 HD21 ' A' ' 95' ' ' LEU . 73.0 t -151.55 125.79 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 71.21 111.165 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -91.54 104.45 3.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 71.04 112.485 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -140.99 98.64 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 74.02 110.893 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.781 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.8 m -135.35 132.54 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.413 . . . . 72.21 111.128 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.65 154.8 42.24 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.627 0.727 . . . . 75.31 111.112 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.69 52.48 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.633 2.222 . . . . 72.32 112.394 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -131.68 135.57 46.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 61.4 110.95 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.95 168.9 53.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 62.55 112.51 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.56 -24.66 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 70.31 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -71.79 -30.48 65.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.178 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -103.42 48.12 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.887 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.527 HD21 ' CD ' ' A' ' 89' ' ' GLU . 36.2 mt -86.75 166.35 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 60.42 110.845 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.2 p -95.37 172.44 8.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.181 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -66.23 -27.15 67.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.154 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -77.52 -34.62 53.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.13 110.911 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -79.24 -47.56 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.895 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -52.01 -34.37 42.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 75.45 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.3 -26.0 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.918 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD12 HD12 ' A' ' 82' ' ' ILE . 6.4 tp -56.84 -35.22 68.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 73.12 110.915 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -56.3 -28.2 58.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.837 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.85 -26.41 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 71.02 111.144 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.644 HD12 HD12 ' A' ' 79' ' ' LEU . 17.6 mt -75.82 -60.04 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.14 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.08 -26.07 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.822 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.22 69.63 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 34.15 112.509 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -139.02 161.65 36.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 71.23 110.896 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -82.37 108.14 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 71.34 110.831 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -106.08 145.66 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 63.11 111.158 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -84.81 137.79 32.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.527 ' CD ' HD21 ' A' ' 72' ' ' LEU . 28.0 mp0 -107.98 148.16 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 74.52 110.873 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.464 HG11 ' OD2' ' A' ' 30' ' ' ASP . 7.3 p -139.41 156.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 63.51 111.101 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -115.79 136.91 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.781 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -99.29 103.93 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 53.42 110.873 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.8 p -101.42 19.03 18.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 51.14 111.207 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.629 ' HB2' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -61.46 169.17 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.848 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.3 pp -82.3 150.63 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.33 110.89 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.18 122.01 39.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.36 133.66 21.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.7 . . . . 52.15 111.144 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.7 56.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 54.31 112.34 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -61.36 125.12 22.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.825 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.23 -50.92 4.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.775 -0.726 . . . . 52.11 112.486 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.16 -34.71 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 63.32 112.398 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.27 -38.54 3.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.731 -0.747 . . . . 65.03 112.504 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.51 -159.51 9.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 75.45 112.512 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 67.9 mt -129.96 148.76 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 75.13 111.121 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 60' ' ' LEU . 29.5 mm -64.99 100.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.087 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -104.96 -23.48 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.9 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.9 147.28 33.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 71.12 110.902 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -150.27 117.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 62.13 111.175 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -100.81 131.97 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 73.05 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.93 125.92 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.114 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 17.4 m-85 -115.11 137.69 51.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 62.23 110.854 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -125.0 142.76 51.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.51 110.88 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -66.29 -29.51 69.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 54.43 110.839 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.0 -32.36 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.01 110.913 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -74.01 -19.0 60.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.811 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 20.67 8.17 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 55.14 112.466 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 107.98 19.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.803 0.335 . . . . 73.13 110.793 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -59.69 145.61 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.934 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.25 159.0 69.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 75.22 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.65 23.82 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.633 2.222 . . . . 75.1 112.429 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.45 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 74.12 112.333 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 112.37 -20.23 21.23 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 64.21 112.512 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.4 t -102.73 144.8 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.862 0.363 . . . . 72.33 111.153 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -115.22 -26.22 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.945 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.67 160.92 43.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.893 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -141.11 123.01 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 62.41 110.941 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.468 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.7 p -143.44 140.33 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 54.52 111.125 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -131.96 158.4 41.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.849 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.507 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.5 t -115.93 151.33 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 71.52 111.126 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.1 112.93 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 64.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.526 HG13 HD13 ' A' ' 105' ' ' ILE . 2.0 mp -117.05 118.13 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.34 111.127 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.677 HG12 HG12 ' A' ' 10' ' ' ILE . 29.9 m -88.99 143.32 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.138 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.76 113.99 26.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 73.53 110.883 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 157.47 16.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 55.02 110.864 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -142.01 169.05 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.825 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -105.06 146.44 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.866 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.46 169.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 52.43 111.132 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.0 t -93.93 117.06 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 33.3 110.858 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -80.28 167.7 19.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 109.98 11.0 21.63 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 65.11 112.499 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 74.13 110.88 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.33 . . . . 63.21 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.25 144.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 45.01 111.162 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -87.32 143.66 27.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.171 -0.468 . . . . 71.45 110.942 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 p -73.68 -175.3 2.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 73.5 111.124 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.25 -173.0 2.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.88 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.8 mm -71.27 156.64 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 55.43 111.12 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -106.61 159.26 16.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 65.44 110.85 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 132' ' ' VAL . 41.8 mm -125.35 120.04 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 72.52 111.08 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.77 159.26 20.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 55.02 110.887 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -142.29 111.89 6.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.35 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.66 145.88 39.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 61.54 110.85 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -115.87 153.93 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 63.43 110.898 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.61 112.83 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 61.11 110.875 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 123' ' ' VAL . 4.9 pt-20 -128.2 148.24 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 71.2 110.901 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -85.12 102.89 13.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 53.14 111.102 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -82.91 133.27 35.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.848 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.63 136.6 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.833 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -84.41 166.74 17.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 72.02 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 6.52 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.918 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.18 -4.32 29.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 77.56 1.37 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 52.15 112.498 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.91 11.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.739 2.293 . . . . 61.03 112.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -139.94 -45.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.842 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -158.6 157.2 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.863 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.7 tt -74.82 146.1 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 75.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.658 HG23 HG23 ' A' ' 64' ' ' VAL . 9.7 t -147.73 179.95 7.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 53.03 111.206 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.81 123.69 37.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.13 110.89 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.6 t70 -148.43 84.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 64.35 110.863 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.52 82.33 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.658 0.742 . . . . 73.13 111.106 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.55 60.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.757 2.305 . . . . 74.13 112.324 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 63.88 21.78 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 71.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -92.71 156.11 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.44 111.156 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.95 138.85 21.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 71.54 112.484 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -53.44 -39.27 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 75.14 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.19 -33.83 75.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 75.52 110.859 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -21.71 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.15 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.512 HD23 HG13 ' A' ' 34' ' ' VAL . 4.3 pp -115.28 15.16 16.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -73.21 -25.32 60.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.04 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.592 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -95.34 -32.47 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.896 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -53.45 135.48 39.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.988 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -104.41 -169.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 54.04 110.821 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.96 -15.2 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.898 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -76.73 -21.99 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.953 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 93.84 -1.36 68.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 63.25 112.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.7 p -116.17 144.01 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 74.45 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.5 mm -67.81 140.49 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 74.51 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -76.39 163.2 27.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.814 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mm -69.32 152.66 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 64.41 111.072 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.95 11.17 70.69 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.684 -0.769 . . . . 63.33 112.515 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 128.21 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 53.13 111.093 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 46.6 mt-10 -67.05 137.28 56.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.35 110.934 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.856 HG23 HD11 ' A' ' 60' ' ' LEU . 8.5 p -91.74 149.58 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.166 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ptmm? -160.01 176.53 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.44 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 142.66 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.843 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.97 0.99 90.63 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.791 -0.718 . . . . 50.43 112.486 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.48 96.92 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 74.23 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD22 ' OG ' ' A' ' 94' ' ' SER . 0.5 OUTLIER -71.12 -28.65 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 63.34 110.895 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.856 HD11 HG23 ' A' ' 54' ' ' VAL . 11.3 mt 64.81 14.28 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.935 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 95' ' ' LEU . 32.0 m -151.28 134.45 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.19 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.59 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.771 . . . . 71.04 112.419 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -137.2 103.84 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.917 0.389 . . . . 74.02 110.889 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 92' ' ' ASP . 3.3 m -146.71 134.21 14.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 72.21 111.134 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.432 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -100.93 159.2 30.2 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.698 . . . . 75.31 111.16 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.732 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.85 145.99 58.26 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.66 2.24 . . . . 72.32 112.342 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -127.74 132.37 49.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 61.4 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.67 128.11 38.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.55 112.529 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.1 p -75.96 -29.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 70.31 111.096 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.71 -24.99 56.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.35 111.152 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -99.46 39.14 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 76' ' ' GLU . 31.8 mt -82.06 172.08 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 60.42 110.912 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 p -96.07 177.23 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 73.31 111.149 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -65.58 -27.0 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.11 111.096 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -34.46 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -79.25 -47.58 15.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.93 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -52.03 -34.28 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.878 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.32 -26.14 28.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 72.43 110.905 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.77 -25.66 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.884 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -58.71 -43.71 90.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.822 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.08 -24.98 65.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 71.02 111.129 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.7 mm -68.37 -59.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.175 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.09 -25.97 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.826 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 38.41 86.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 34.15 112.483 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.31 146.45 6.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 71.23 110.877 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -74.17 124.25 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 71.34 110.942 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.48 171.42 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 63.11 111.082 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -103.6 145.83 29.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.125 -0.489 . . . . 72.01 110.816 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -116.3 143.4 45.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.914 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m -136.29 179.65 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 63.51 111.182 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 64' ' ' VAL . 14.4 tpt180 -112.98 143.37 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 63.42 110.872 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.4 p-10 -85.9 101.55 12.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 53.42 110.853 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.1 p -112.07 25.84 11.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 51.14 111.147 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.692 ' OG ' HD22 ' A' ' 59' ' ' LEU . 2.0 p -85.35 169.37 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 71.52 110.816 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD11 HG23 ' A' ' 97' ' ' VAL . 1.4 pp -76.2 149.6 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.515 . . . . 71.33 110.914 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -97.8 114.86 26.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.846 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.677 HG23 HD11 ' A' ' 95' ' ' LEU . 2.7 t -90.72 133.75 31.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.717 . . . . 52.15 111.087 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 163.31 38.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.684 2.256 . . . . 54.31 112.328 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -65.39 122.34 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 63.35 110.948 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.75 -50.46 4.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 52.11 112.449 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.34 -34.82 3.71 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 63.32 112.435 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.69 -38.51 3.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.467 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.35 -160.15 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 75.45 112.532 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 59.9 mt -128.54 149.31 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.813 0.34 . . . . 75.13 111.114 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.583 HD12 ' CG1' ' A' ' 129' ' ' VAL . 33.2 mm -64.93 103.58 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 72.41 111.08 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -105.07 -17.06 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.834 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -158.99 152.75 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.876 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG22 HG13 ' A' ' 129' ' ' VAL . 85.6 t -150.54 123.97 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.13 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.447 ' O ' HG23 ' A' ' 127' ' ' VAL . 9.5 mmtm -101.2 136.65 40.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.89 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.0 p -139.02 123.43 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.31 111.109 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.48 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.3 m-85 -105.11 151.74 23.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 62.23 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -131.41 138.69 49.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.905 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -66.52 -38.19 86.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 54.43 110.863 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.39 -26.86 66.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.888 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -73.98 -17.38 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.14 21.78 7.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 55.14 112.507 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -91.88 117.65 30.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 73.13 110.879 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -71.81 135.23 46.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.43 110.945 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.464 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.7 mp -131.48 159.76 70.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 75.22 110.92 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.16 25.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 75.1 112.314 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 125.99 12.8 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.291 . . . . 74.12 112.352 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.06 0.25 48.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 64.21 112.509 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.464 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.9 t -116.77 145.25 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 72.33 111.16 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -113.74 -34.03 5.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.869 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.54 167.09 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.847 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.588 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -145.89 129.1 16.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 62.41 110.9 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.588 ' N ' HD13 ' A' ' 126' ' ' LEU . 10.4 p -147.25 136.96 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.079 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -124.53 160.9 27.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.875 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.583 ' CG1' HD12 ' A' ' 105' ' ' ILE . 12.2 t -118.34 154.13 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.147 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -126.15 112.82 16.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 64.34 110.976 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.438 HG13 HD13 ' A' ' 105' ' ' ILE . 1.6 mp -117.88 138.76 47.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.43 HG12 HD13 ' A' ' 10' ' ' ILE . 24.1 m -111.83 128.04 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 73.24 111.143 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.09 123.3 27.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.08 138.44 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 55.02 110.871 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -55.52 164.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.957 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -140.34 144.74 36.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.973 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.425 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.33 166.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 52.43 111.162 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -78.59 110.1 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 33.3 110.821 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -112.67 147.56 36.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.55 -22.07 27.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.663 -0.78 . . . . 65.11 112.446 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 74.13 110.887 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 63.21 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.65 145.89 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 45.01 111.149 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -125.07 80.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 71.45 110.905 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 p -140.85 -178.09 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.118 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -173.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.843 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.7 mm -71.83 156.34 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 55.43 111.185 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -154.16 159.37 41.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 65.44 110.865 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 132' ' ' VAL . 40.5 mm -125.29 118.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.104 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.55 159.91 21.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 55.02 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -141.93 111.8 6.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.942 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -113.53 143.53 44.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.86 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -115.84 148.37 40.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 63.43 110.871 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.96 107.88 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 61.11 110.914 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.6 pt-20 -129.91 135.07 47.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.907 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.622 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -76.51 97.84 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 53.14 111.09 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -82.89 141.56 32.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -69.09 131.67 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.34 110.844 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.85 167.98 17.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 72.02 111.157 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 6.34 40.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.828 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.1 -4.17 27.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 62.04 110.966 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.2 77.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 52.15 112.459 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 169.89 17.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 61.03 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -140.16 -43.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.921 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -166.1 155.08 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.91 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.7 tt -76.27 142.08 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.14 111.133 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.766 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -146.19 175.85 10.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 53.03 111.121 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -123.97 120.68 33.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' N ' HG21 ' A' ' 64' ' ' VAL . 21.3 t70 -148.38 76.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 64.35 110.827 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.1 mp -111.06 81.86 2.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 73.13 111.157 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 160.14 50.81 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.722 2.281 . . . . 74.13 112.368 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 63.57 17.91 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG13 HD23 ' A' ' 39' ' ' LEU . 9.1 p -88.72 155.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 74.44 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.3 156.16 53.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 71.54 112.471 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -72.12 -27.72 62.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.855 0.359 . . . . 75.14 110.91 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -69.98 -37.23 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.713 ' O ' HD11 ' A' ' 48' ' ' ILE . . . -68.69 -17.11 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 73.3 111.101 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.616 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -121.2 15.22 11.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.912 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -74.92 -25.93 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 63.04 110.826 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HB2' HG23 ' A' ' 48' ' ' ILE . 74.5 m-80 -114.35 -20.68 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.869 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.6 122.83 8.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -87.68 -174.3 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 54.04 110.854 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.92 -19.7 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.873 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -76.79 -22.18 54.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 19.19 34.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 63.25 112.544 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.25 136.02 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 74.45 111.075 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 38' ' ' ALA . 38.3 mm -68.02 139.49 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 74.51 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -75.19 163.01 27.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.869 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -66.09 150.95 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.41 111.127 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.75 14.97 62.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 63.33 112.483 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.15 128.1 51.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 53.13 111.121 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.752 ' HA ' HG23 ' A' ' 104' ' ' ILE . 56.9 mt-10 -68.88 137.13 53.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.249 -0.432 . . . . 65.35 110.871 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG23 HD11 ' A' ' 60' ' ' LEU . 5.1 p -91.68 144.55 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 72.42 111.112 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -161.06 176.46 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.913 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.86 144.09 56.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.79 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.06 -3.36 80.87 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.7 -0.762 . . . . 50.43 112.499 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 24.1 m-20 -108.48 94.69 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 74.23 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 94' ' ' SER . 0.8 OUTLIER -67.86 -31.28 70.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 63.34 110.966 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD23 HG13 ' A' ' 48' ' ' ILE . 7.8 mt 64.0 15.2 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 74.51 110.926 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG21 HD23 ' A' ' 95' ' ' LEU . 27.0 m -151.23 135.89 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.21 111.106 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.5 100.88 2.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 71.04 112.483 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -135.88 101.38 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 74.02 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.766 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -141.53 128.33 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.175 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.43 159.22 30.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.665 0.745 . . . . 75.31 111.14 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.758 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.5 Cg_endo -69.84 164.93 32.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 72.32 112.256 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 61.4 110.881 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.71 -159.63 7.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 62.55 112.504 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 t -91.78 -41.08 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 70.31 111.059 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -25.6 59.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.154 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.34 -32.68 71.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 72.01 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' OE1' ' A' ' 76' ' ' GLU . 61.7 mt -52.42 169.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.983 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.3 p -119.48 168.04 11.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.121 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.28 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 64.11 111.089 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.1 -37.17 74.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' OE1' HD22 ' A' ' 72' ' ' LEU . 52.5 mt-10 -64.77 -29.97 70.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.912 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -60.05 -48.87 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.893 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.6 pp -82.8 -27.34 31.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.807 HD12 HD12 ' A' ' 82' ' ' ILE . 28.1 tp -57.63 -25.73 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.922 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -55.02 -33.99 63.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.866 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.32 -23.54 57.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 71.02 111.075 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.807 HD12 HD12 ' A' ' 79' ' ' LEU . 21.2 mt -77.65 -61.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 73.32 111.113 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -25.71 57.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.47 25.44 70.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 34.15 112.533 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.88 160.13 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.939 0.4 . . . . 71.23 110.87 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.14 134.35 33.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 71.34 110.937 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.29 127.66 56.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 63.11 111.047 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.2 mmt-85 -59.4 134.59 57.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.896 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -117.03 132.02 56.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.882 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.1 m -137.11 178.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 63.51 111.145 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -109.89 155.81 21.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 63.42 110.876 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.732 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -112.54 110.55 20.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 53.42 110.864 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -112.05 14.99 20.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 51.14 111.149 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -62.91 169.18 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 71.52 110.846 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.563 HD11 HG23 ' A' ' 97' ' ' VAL . 2.5 pp -83.23 150.54 26.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.895 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -97.07 114.85 26.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.835 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.563 HG23 HD11 ' A' ' 95' ' ' LEU . 2.2 t -87.16 136.45 33.73 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.682 0.753 . . . . 52.15 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.36 57.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.728 2.285 . . . . 54.31 112.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -65.26 128.27 35.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 63.35 110.864 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.05 -50.36 4.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.791 -0.718 . . . . 52.11 112.503 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.483 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.34 -35.38 3.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 63.32 112.487 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.8 -38.09 3.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.481 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.469 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.75 -157.7 8.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 75.45 112.469 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.752 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.4 mt -134.79 148.85 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 75.13 111.158 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.527 HD12 ' CG1' ' A' ' 129' ' ' VAL . 30.0 mm -65.32 101.96 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.41 111.063 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -105.27 -23.07 12.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 70.15 110.892 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.33 151.32 31.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.8 t -150.33 125.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.174 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -101.04 133.32 45.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.0 p -138.32 121.18 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 72.31 111.157 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -107.86 133.33 52.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.807 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -113.56 142.47 45.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.875 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -65.15 -39.43 92.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.856 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -73.18 -19.02 61.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 73.01 110.801 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.88 -16.8 61.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 21.98 7.46 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 55.14 112.531 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.25 108.0 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 73.13 110.886 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.51 147.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.837 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -131.7 157.74 77.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 75.22 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.59 24.08 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.638 2.225 . . . . 75.1 112.349 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 126.39 13.27 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 74.12 112.308 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.24 -10.26 58.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.772 -0.728 . . . . 64.21 112.473 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 16' ' ' GLU . 98.6 t -107.41 143.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 72.33 111.072 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -110.47 -30.2 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.87 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -148.88 166.1 29.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.856 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.4 tm? -145.13 125.26 13.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 62.41 110.885 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.527 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -147.37 130.27 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 54.52 111.132 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -120.28 158.49 26.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.527 ' CG1' HD12 ' A' ' 105' ' ' ILE . 14.9 t -116.33 153.46 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.83 112.93 15.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.982 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.408 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -116.98 130.73 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.065 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HD13 ' A' ' 10' ' ' ILE . 12.8 m -103.56 125.35 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -71.69 134.25 46.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.936 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.46 158.0 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 55.02 110.899 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -93.63 138.46 31.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.865 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.35 156.88 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 75.34 110.881 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.424 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.2 pp -126.36 168.53 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 52.43 111.133 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t -52.29 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 33.3 110.848 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -74.66 -74.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 73.41 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.36 11.13 57.58 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.833 -0.699 . . . . 65.11 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.319 . . . . 74.13 110.875 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.812 0.339 . . . . 63.21 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.7 t -141.26 148.74 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 45.01 111.152 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -103.94 87.23 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.95 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -58.57 146.18 36.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 73.5 111.133 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.09 -174.35 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.837 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.51 123.86 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 55.43 111.136 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -102.97 159.23 15.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 65.44 110.841 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.758 ' CD1' HG12 ' A' ' 132' ' ' VAL . 40.8 mm -122.82 119.58 58.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.168 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.42 168.67 19.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 55.02 110.842 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 75.35 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD11 ' A' ' 95' ' ' LEU . 62.3 m-85 -131.81 130.71 42.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 61.54 110.951 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -115.9 159.05 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 63.43 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -162.33 110.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.861 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.5 pt-20 -122.1 140.19 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 71.2 110.951 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -80.04 97.97 7.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 53.14 111.094 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.94 142.54 31.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 74.51 110.849 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -70.8 134.94 47.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 73.34 110.882 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -84.6 168.63 15.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 72.02 111.129 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.3 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.928 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -1.16 34.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.04 110.96 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.42 78.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.729 -0.748 . . . . 52.15 112.476 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.49 16.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 61.03 112.359 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -138.94 -41.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.927 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -167.66 157.02 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 74.23 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.631 HD11 ' HG2' ' A' ' 63' ' ' LYS . 11.5 tt -74.89 143.21 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.14 111.105 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.779 HG23 HG23 ' A' ' 64' ' ' VAL . 14.0 t -145.74 174.54 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 53.03 111.144 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -120.64 120.75 36.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.925 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 64' ' ' VAL . 17.1 t70 -146.62 87.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.35 110.826 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.3 mm -110.64 81.88 2.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 73.13 111.205 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.7 67.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 74.13 112.359 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.82 30.41 14.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.22 110.866 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.6 156.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.42 138.92 22.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 71.54 112.438 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -54.88 -31.95 60.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 75.14 110.929 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -69.42 -33.78 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.84 -20.45 66.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 73.3 111.046 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.65 15.16 14.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -72.49 -27.31 62.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.04 110.858 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.577 ' HB2' HG23 ' A' ' 48' ' ' ILE . 77.4 m-20 -104.56 -25.91 12.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.89 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' N ' HD13 ' A' ' 48' ' ' ILE . 1.3 tp -51.91 139.21 22.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 64.12 110.884 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.7 -176.15 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 54.04 110.819 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.01 -18.68 63.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.845 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -76.93 -22.22 53.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.8 20.19 32.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.66 -0.781 . . . . 63.25 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -131.56 138.33 53.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.786 0.327 . . . . 74.45 111.062 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.577 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.3 mm -67.92 132.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 74.51 111.139 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -64.99 157.4 28.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.834 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.24 151.11 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.118 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.19 13.89 61.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.821 -0.704 . . . . 63.33 112.484 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.98 127.3 51.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 53.13 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.745 ' HA ' HG23 ' A' ' 104' ' ' ILE . 39.5 tt0 -67.84 137.15 55.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 65.35 110.914 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.6 p -91.65 143.8 10.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.65 176.09 11.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -58.18 125.59 23.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.825 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.8 -5.76 62.09 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.685 -0.769 . . . . 50.43 112.485 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.534 ' O ' HG21 ' A' ' 97' ' ' VAL . 12.9 m-20 -98.77 82.89 2.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 74.23 110.862 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD22 ' CB ' ' A' ' 94' ' ' SER . 1.3 mp -59.1 -37.58 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 63.34 110.996 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 97' ' ' VAL . 1.7 mt 63.35 15.45 8.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 74.51 110.976 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -151.09 128.04 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.112 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.42 103.54 2.64 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 71.04 112.367 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 27' ' ' ILE . 5.1 mtmp? -140.98 117.56 10.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.715 0.293 . . . . 74.02 110.98 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.779 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -154.74 128.02 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 72.21 111.132 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.96 159.36 29.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.584 0.707 . . . . 75.31 111.157 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.791 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.6 Cg_endo -69.73 159.49 53.24 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 72.32 112.359 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -125.19 170.94 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.61 154.71 16.72 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.72 -0.753 . . . . 62.55 112.414 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.02 -26.79 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.383 . . . . 70.31 111.152 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 m -69.67 -24.37 63.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.35 111.13 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -95.87 32.69 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 72.01 110.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD21 ' CD ' ' A' ' 89' ' ' GLU . 32.4 mt -99.37 172.02 7.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 60.42 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.0 p -105.86 175.88 5.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.31 111.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -65.34 -27.14 68.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 64.11 111.072 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -77.68 -34.4 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.865 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -79.38 -47.51 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.831 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -52.03 -34.28 42.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.859 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -84.41 -27.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.916 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -56.2 -26.04 49.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.909 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.28 -41.72 98.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -25.21 65.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.162 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.08 -57.74 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.32 111.111 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -74.99 -25.89 59.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.99 22.52 68.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 34.15 112.481 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -152.9 139.68 18.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 71.23 110.897 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -51.96 139.28 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.894 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.87 172.91 7.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.11 111.083 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -113.01 115.85 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.909 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.581 ' CD ' HD21 ' A' ' 72' ' ' LEU . 10.4 pt-20 -116.92 131.86 56.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.883 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.791 HG12 ' HA ' ' A' ' 66' ' ' PRO . 5.0 m -134.56 178.28 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.208 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -109.95 128.56 55.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.88 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.631 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.5 p-10 -75.82 96.7 3.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 53.42 110.845 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.29 41.59 2.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 51.14 111.139 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.59 ' CB ' HD22 ' A' ' 59' ' ' LEU . 71.3 m -82.67 169.84 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.52 110.923 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 13' ' ' TYR . 3.0 tt -75.56 149.53 38.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.93 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -98.26 132.17 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.41 110.831 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 60' ' ' LEU . 9.9 t -120.1 131.63 24.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 52.15 111.145 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 158.7 56.11 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.714 2.276 . . . . 54.31 112.399 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -65.33 132.68 49.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 63.35 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.84 -50.68 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.669 -0.777 . . . . 52.11 112.449 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.502 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.16 -35.73 3.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 63.32 112.508 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.49 3.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 65.03 112.484 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.37 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 75.45 112.478 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 53' ' ' GLU . 51.1 mt -133.17 148.69 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 75.13 111.157 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 129' ' ' VAL . 30.5 mm -65.4 101.76 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.156 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -105.26 -30.9 9.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 70.15 110.867 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.56 151.03 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 84.1 t -150.4 122.45 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 62.13 111.135 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 132.18 46.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.95 127.64 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.099 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 126' ' ' LEU . 9.3 m-85 -112.82 132.14 55.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 62.23 110.888 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -121.63 145.0 48.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.903 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -65.12 -33.73 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 54.43 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -62.01 -25.23 67.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.75 -21.63 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.07 16.91 11.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 55.14 112.478 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.63 127.53 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.767 0.318 . . . . 73.13 110.855 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -78.45 143.64 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.43 110.927 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 126' ' ' LEU . 1.1 mt -128.14 158.91 69.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.573 0.702 . . . . 75.22 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 167.24 24.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.1 112.356 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 74.12 112.358 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.08 -10.41 47.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 64.21 112.523 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.447 HG13 ' HB2' ' A' ' 16' ' ' GLU . 90.3 t -108.5 144.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 72.33 111.101 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -110.83 -35.07 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 73.31 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.44 167.1 24.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.941 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.0 tm? -144.36 128.25 17.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.895 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.4 p -147.18 138.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 54.52 111.127 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -136.18 141.24 44.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 64.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -101.05 157.0 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 71.52 111.08 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -128.26 112.77 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.955 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.483 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -113.42 123.1 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.175 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 10' ' ' ILE . 35.0 m -98.87 130.0 48.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.24 111.118 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 119.26 24.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.968 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -81.03 152.11 28.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 55.02 110.905 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -70.38 161.55 30.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -119.41 144.73 46.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.945 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.37 168.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 52.43 111.151 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 t -87.31 81.52 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 33.3 110.915 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.61 156.34 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.824 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.91 -21.86 19.83 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.799 -0.715 . . . . 65.11 112.531 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 74.13 110.898 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.868 0.366 . . . . 63.21 110.837 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.51 146.96 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 45.01 111.16 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -109.46 155.81 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.923 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.0 p -130.74 -175.11 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.089 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.88 -175.11 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.881 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.6 mp -91.6 125.38 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 55.43 111.147 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -159.33 159.28 33.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 65.44 110.944 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.564 HG12 HG12 ' A' ' 132' ' ' VAL . 69.9 mt -112.57 143.19 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 72.52 111.127 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.97 166.69 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 55.02 110.938 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -142.17 111.64 6.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.918 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -114.07 146.87 39.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 61.54 110.911 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.59 136.46 53.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 63.43 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -147.11 110.12 4.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 61.11 110.873 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.9 pt-20 -131.16 142.06 50.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 71.2 110.842 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -77.58 99.13 5.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 53.14 111.074 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -82.85 131.57 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.51 110.865 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -63.77 134.3 55.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -82.34 167.46 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.176 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 6.21 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.906 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.62 -0.11 35.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.418 . . . . 62.04 110.946 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.19 78.54 1.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.808 -0.711 . . . . 52.15 112.469 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 172.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.286 . . . . 61.03 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -138.84 -45.69 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 75.32 110.904 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -159.96 157.16 28.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.993 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 17' ' ' ALA . 10.4 tt -77.41 146.43 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.124 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 64' ' ' VAL . 11.8 t -153.73 179.51 8.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 53.03 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -121.8 121.0 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.514 ' N ' HG21 ' A' ' 64' ' ' VAL . 5.7 t70 -147.64 98.18 2.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 64.35 110.854 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.634 HG22 HG21 ' A' ' 34' ' ' VAL . 3.4 mp -127.85 81.96 69.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 73.13 111.106 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 164.87 32.89 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.643 2.229 . . . . 74.13 112.345 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 64.66 14.76 9.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.634 HG21 HG22 ' A' ' 31' ' ' ILE . 97.2 t -122.88 130.73 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.085 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.61 146.97 48.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.792 -0.718 . . . . 71.54 112.418 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -59.45 -27.64 66.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.886 0.374 . . . . 75.14 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.03 -33.86 63.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.882 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -22.68 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.3 111.127 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 pp -122.37 15.23 10.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.903 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -51.84 -39.4 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 63.04 110.856 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.535 ' HB2' HG23 ' A' ' 48' ' ' ILE . 16.2 m-80 -84.63 -19.06 33.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.907 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.74 144.44 11.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -102.58 -169.89 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 54.04 110.862 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.49 -21.53 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.857 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -76.77 -22.18 54.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.881 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.18 20.97 21.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 63.25 112.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -129.81 143.62 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 74.45 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.759 HG13 HD23 ' A' ' 60' ' ' LEU . 39.4 mm -67.94 125.62 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.111 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -63.67 152.35 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.893 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.4 mt -60.51 146.35 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.147 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 13.25 44.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 63.33 112.44 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.83 131.73 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.292 . . . . 53.13 111.08 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.776 ' HA ' HG23 ' A' ' 104' ' ' ILE . 6.2 tt0 -66.93 160.6 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 65.35 110.959 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.782 HG11 ' HA3' ' A' ' 101' ' ' GLY . 85.4 t -91.81 144.64 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.42 111.131 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.98 139.84 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.894 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.19 132.68 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.57 3.16 58.53 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.513 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -105.5 99.12 8.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 74.23 110.838 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 94' ' ' SER . 7.0 mt -65.05 -30.67 71.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 63.34 110.868 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.759 HD23 HG13 ' A' ' 48' ' ' ILE . 23.9 mt 61.0 19.16 9.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.927 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.12 137.52 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 71.21 111.079 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.58 101.13 2.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.831 -0.7 . . . . 71.04 112.524 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 27' ' ' ILE . 4.0 mttp -134.96 98.35 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 74.02 110.818 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.747 HG12 ' HA ' ' A' ' 92' ' ' ASP . 2.7 m -140.09 127.6 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 72.21 111.054 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.18 158.87 31.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 75.31 111.148 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.768 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.3 Cg_endo -69.83 159.65 52.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.617 2.211 . . . . 72.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -121.58 174.83 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.22 152.93 18.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 62.55 112.526 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.6 t -87.0 -23.63 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 70.31 111.121 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.0 24.42 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.074 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.63 24.98 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 72.01 110.865 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.6 163.28 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.942 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -92.26 159.48 15.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.128 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.53 -26.78 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.11 111.148 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.7 mt-10 -77.1 -34.06 56.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.64 ' HA ' HD23 ' A' ' 79' ' ' LEU . 21.8 mm-40 -79.17 -48.1 14.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.98 -32.72 47.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.843 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 75' ' ' GLU . 0.6 OUTLIER -84.52 -25.17 28.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 72.43 110.898 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -56.03 -24.85 41.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 110.899 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -59.34 -42.51 91.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 75.01 110.901 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.76 -25.02 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 71.02 111.058 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -68.86 -57.79 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.121 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -75.46 -25.8 57.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.91 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.96 23.16 78.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 34.15 112.47 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -158.83 161.48 36.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 71.23 110.927 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -72.42 143.56 48.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.56 132.65 39.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 63.11 111.075 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -76.41 124.45 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 72.01 110.82 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.871 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 66' ' ' PRO . 3.6 m -140.44 175.1 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 63.51 111.111 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -110.01 139.5 45.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.902 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.747 ' HA ' HG12 ' A' ' 64' ' ' VAL . 3.0 p-10 -96.78 111.78 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 53.42 110.93 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.4 p -107.86 14.89 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 51.14 111.185 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.72 ' HB2' HD13 ' A' ' 59' ' ' LEU . 40.0 m -63.73 169.22 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.818 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 97' ' ' VAL . 1.8 pp -82.39 149.77 27.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -97.99 117.95 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.594 HG23 HD11 ' A' ' 95' ' ' LEU . 3.4 t -93.53 132.65 29.68 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.677 0.751 . . . . 52.15 111.119 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 161.08 47.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 54.31 112.409 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -65.21 122.98 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 63.35 110.81 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.22 -50.41 4.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.666 -0.778 . . . . 52.11 112.493 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.782 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 84.1 -36.96 2.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 63.32 112.504 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -38.91 2.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.727 . . . . 65.03 112.495 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.06 -159.86 9.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.795 -0.717 . . . . 75.45 112.507 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 53' ' ' GLU . 75.8 mt -129.03 148.24 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 75.13 111.189 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 131' ' ' ILE . 30.5 mm -64.85 102.17 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.445 . . . . 72.41 111.148 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -105.0 -19.44 13.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.888 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.68 148.43 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.882 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.9 t -150.47 121.88 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 62.13 111.07 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -100.84 141.79 33.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.924 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 127' ' ' VAL . 7.1 p -146.51 126.5 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 72.31 111.121 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.36 146.51 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -129.08 142.59 50.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -63.59 -34.04 76.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 54.43 110.835 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -59.28 -27.55 65.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.909 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.96 -20.68 60.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.866 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 19.45 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 55.14 112.528 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -91.82 108.22 19.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.307 . . . . 73.13 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.67 137.53 57.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 126' ' ' LEU . 18.5 mt -130.48 158.83 73.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.625 0.726 . . . . 75.22 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.35 24.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 75.1 112.357 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 122.06 8.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.72 2.28 . . . . 74.12 112.347 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 106.83 -13.88 41.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.467 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 16' ' ' GLU . 87.1 t -105.0 139.62 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 72.33 111.126 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -107.14 -35.44 6.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.47 165.94 26.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.894 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.7 tm? -136.06 133.06 36.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 62.41 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 110' ' ' VAL . 41.7 t -147.12 135.5 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 54.52 111.157 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -128.5 138.42 52.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 64.11 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.499 ' CG1' HD12 ' A' ' 105' ' ' ILE . 25.7 t -101.68 149.58 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 71.52 111.128 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.16 118.15 22.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 64.34 110.961 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.538 HG13 HD13 ' A' ' 105' ' ' ILE . 1.9 mp -121.31 121.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.34 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.564 HG12 HG12 ' A' ' 10' ' ' ILE . 30.7 m -92.61 133.98 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.24 111.112 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -89.8 126.2 35.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.899 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -59.85 145.79 44.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 55.02 110.93 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -88.04 160.47 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 73.21 110.891 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -51.9 147.56 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.423 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.33 167.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 p -52.06 123.16 9.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 33.3 110.878 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -73.8 161.48 30.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.913 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 99.18 11.03 46.9 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 65.11 112.527 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.843 0.354 . . . . 74.13 110.838 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 63.21 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -117.67 150.02 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 45.01 111.113 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -124.33 137.39 54.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 71.45 111.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.492 HG23 ' HD3' ' A' ' 135' ' ' ARG . 2.5 t -119.45 157.33 28.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.5 111.121 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.72 -174.38 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.888 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -95.59 127.69 47.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 55.43 111.112 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -79.38 159.34 27.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.88 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 ' CD1' HG12 ' A' ' 132' ' ' VAL . 35.0 mm -126.74 117.94 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.176 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -82.11 155.98 24.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 55.02 110.91 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -142.5 111.46 6.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 75.35 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.45 146.36 38.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 61.54 110.924 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -115.66 140.0 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 63.43 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.19 107.77 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 61.11 110.921 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' HG13 ' A' ' 123' ' ' VAL . 7.7 pt-20 -131.29 135.65 47.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.964 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -73.91 97.62 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 53.14 111.141 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -83.05 141.22 32.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.919 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -67.85 131.08 44.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.826 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.402 ' HB ' HG21 ' A' ' 65' ' ' THR . 10.0 t -82.52 167.7 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.02 111.19 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.36 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.45 110.912 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 -2.19 27.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 62.04 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.93 79.14 1.42 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.673 -0.775 . . . . 52.15 112.494 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 167.1 25.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.727 2.285 . . . . 61.03 112.302 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -140.22 -45.61 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -160.43 157.04 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.955 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.814 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.6 tt -86.19 146.07 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 75.14 111.135 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.636 HG23 HG23 ' A' ' 64' ' ' VAL . 10.0 t -151.05 179.57 8.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 53.03 111.136 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.77 122.74 41.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' HB3' HG21 ' A' ' 64' ' ' VAL . 5.9 t70 -148.48 93.0 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.35 110.916 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 HG22 ' HB ' ' A' ' 34' ' ' VAL . 3.9 mp -125.24 81.39 63.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.623 0.725 . . . . 73.13 111.165 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 158.02 58.53 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 74.13 112.397 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 63.47 21.16 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.901 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.576 HG13 HD23 ' A' ' 39' ' ' LEU . 7.4 p -90.18 153.97 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 74.44 111.165 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.26 139.0 31.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.66 -36.68 74.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.917 0.389 . . . . 75.14 110.87 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -69.19 -33.78 73.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.52 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.03 -22.35 66.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.149 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -114.95 15.2 17.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.939 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -72.51 -25.28 61.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.04 110.843 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.708 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -103.02 -27.93 12.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 71.13 110.879 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD21 ' HA2' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -52.44 139.64 24.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 64.12 110.91 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.21 -169.73 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 54.04 110.889 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -67.73 -18.18 64.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 73.33 110.821 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -77.1 -22.11 53.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 71.11 110.815 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.423 ' HA2' HD21 ' A' ' 42' ' ' LEU . . . 94.2 16.96 41.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.492 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.2 139.06 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 74.45 111.159 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.766 HG13 HD23 ' A' ' 60' ' ' LEU . 32.9 mm -67.97 134.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.51 111.117 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -69.47 163.37 25.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 75.12 110.862 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -71.22 145.9 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 64.41 111.063 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.43 10.23 60.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 63.33 112.509 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 129.51 51.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 53.13 111.056 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.788 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.8 tt0 -67.2 136.08 54.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 65.35 110.898 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.67 ' CG2' HD11 ' A' ' 60' ' ' LEU . 5.0 p -91.73 148.21 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.13 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -161.37 176.05 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.77 127.87 34.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.801 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.08 -6.54 59.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 50.43 112.44 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.69 94.51 5.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.829 0.347 . . . . 74.23 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -69.79 -30.96 68.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 63.34 110.886 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.766 HD23 HG13 ' A' ' 48' ' ' ILE . 8.8 mt 65.86 12.03 8.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.957 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -152.46 125.73 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.21 111.119 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.29 100.76 2.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 71.04 112.475 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -137.2 111.44 8.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.875 0.369 . . . . 74.02 110.883 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 92' ' ' ASP . 0.6 OUTLIER -144.66 125.92 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 72.21 111.067 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.79 155.43 36.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.512 0.672 . . . . 75.31 111.18 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 65' ' ' THR . 54.1 Cg_endo -69.73 155.39 66.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 72.32 112.34 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -98.71 174.79 6.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 61.4 110.908 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.51 165.65 15.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 62.55 112.478 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.6 m -88.1 -24.92 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.929 0.395 . . . . 70.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 m -88.02 -22.46 24.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 74.35 111.084 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -95.67 25.71 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.404 . . . . 72.01 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 mt -88.14 172.0 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 60.42 110.95 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.3 p -106.9 153.96 21.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.31 111.207 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.04 82.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 64.11 111.095 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -60.53 -34.93 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.852 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -64.68 -32.47 74.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.888 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -72.05 -48.9 40.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 75.45 110.886 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.2 pp -71.46 -25.97 62.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.43 110.865 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 82' ' ' ILE . 13.7 tp -56.95 -25.81 58.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.869 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -57.7 -32.42 67.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.844 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.6 56.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.02 111.085 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.772 HD12 HD12 ' A' ' 79' ' ' LEU . 22.6 mt -76.2 -60.89 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.32 111.062 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -25.89 56.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.31 24.59 76.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.808 -0.711 . . . . 34.15 112.473 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -151.81 152.96 33.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 71.23 110.929 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -60.02 139.24 57.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.875 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -134.63 128.47 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.127 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -103.94 157.54 17.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.837 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.09 156.14 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.941 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 p -143.17 159.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 63.51 111.09 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -109.89 138.66 45.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 63.42 110.84 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.741 ' HA ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -106.01 99.86 9.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 53.42 110.873 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 p -102.48 18.74 20.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 51.14 111.125 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.525 ' CB ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -61.06 169.27 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.881 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' CD1' HG23 ' A' ' 97' ' ' VAL . 4.3 pp -80.48 149.72 29.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.891 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -97.89 115.77 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.853 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.63 HG23 ' CD1' ' A' ' 95' ' ' LEU . 3.1 t -96.25 133.68 24.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.545 0.688 . . . . 52.15 111.138 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 162.5 41.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.578 2.185 . . . . 54.31 112.369 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -64.99 122.61 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 63.35 110.931 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.98 -50.78 4.46 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.839 -0.696 . . . . 52.11 112.491 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.05 -34.81 3.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 63.32 112.514 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.38 -35.84 4.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 65.03 112.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.91 -159.73 9.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 75.45 112.509 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 53' ' ' GLU . 49.9 mt -132.06 150.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 75.13 111.111 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.95 103.93 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 72.41 111.101 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.775 ' CD2' HG13 ' A' ' 132' ' ' VAL . 7.0 p80 -104.98 -34.69 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 70.15 110.83 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -136.82 151.35 49.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 71.12 110.906 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.9 t -150.04 135.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 62.13 111.136 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.45 142.97 44.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.949 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 127' ' ' VAL . 7.7 p -148.05 124.45 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.117 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -120.41 127.43 52.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.23 110.876 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.28 137.46 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.7 -37.97 83.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 54.43 110.828 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -59.32 -31.56 69.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -16.73 61.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.0 7.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 55.14 112.509 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -97.87 108.15 20.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 73.13 110.858 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -59.41 152.55 21.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 62.43 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 126' ' ' LEU . 17.2 mt -148.16 158.82 41.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 75.22 110.943 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 168.01 22.86 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 75.1 112.335 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.18 9.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.12 112.344 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.22 -15.71 35.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.693 -0.765 . . . . 64.21 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 16' ' ' GLU . 93.7 t -104.15 144.01 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 72.33 111.141 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -114.42 -28.17 7.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.848 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -149.74 159.8 44.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.957 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -135.2 132.18 37.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 62.41 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 126' ' ' LEU . 43.7 t -145.26 130.77 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 54.52 111.178 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -124.19 135.94 53.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.869 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.427 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.7 t -103.95 150.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.101 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -128.12 119.08 24.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 64.34 110.927 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.447 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -123.63 112.36 32.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.188 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.775 HG13 ' CD2' ' A' ' 106' ' ' HIS . 29.9 m -82.14 133.17 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.146 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 8' ' ' ILE . 1.8 mp0 -86.48 114.04 22.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 73.53 110.951 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -85.09 156.85 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 55.02 110.869 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.492 ' HD3' HG23 ' A' ' 6' ' ' THR . 15.8 mmm180 -74.2 168.83 18.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 73.21 110.844 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.15 146.15 37.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.43 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.43 168.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.161 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.5 t -92.34 115.72 28.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 33.3 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -171.78 134.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.958 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.02 -22.59 37.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 65.11 112.425 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 74.13 110.857 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.831 0.348 . . . . 63.21 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 151.42 35.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 45.01 111.088 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -131.56 143.95 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.954 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 t -107.96 155.05 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 73.5 111.114 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.46 -174.51 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.842 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 133' ' ' GLN . 2.9 mp -67.13 134.87 29.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 55.43 111.121 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.0 m170 -87.79 159.33 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 65.44 110.873 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.734 HD13 HG12 ' A' ' 132' ' ' VAL . 39.8 mm -123.71 119.81 58.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 72.52 111.13 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.02 159.49 23.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -142.63 111.65 6.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -110.46 147.64 33.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 61.54 110.939 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -118.72 149.06 42.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 63.43 110.833 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.6 m -162.28 107.98 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 61.11 110.889 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -127.92 137.89 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 71.2 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.012 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.87 98.32 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.084 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.67 143.37 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -73.29 132.04 42.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.861 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 t -83.63 167.83 16.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 72.02 111.127 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -89.33 6.39 40.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.933 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HE2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -102.43 -3.29 27.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 62.04 110.929 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.07 78.76 1.42 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 52.15 112.468 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.246 . . . . 61.03 112.446 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -140.24 -43.39 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 75.32 110.872 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -166.01 148.92 7.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.843 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.012 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.8 tt -74.78 146.08 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.112 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' VAL . 11.0 t -151.31 -179.92 7.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 53.03 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 123.39 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.817 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.4 t70 -148.1 90.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.86 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.53 81.91 2.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.692 . . . . 73.13 111.149 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 146.26 59.12 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.666 2.244 . . . . 74.13 112.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 64.34 33.24 11.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.2 p -102.94 158.42 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.102 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 34' ' ' VAL . . . -81.96 138.99 19.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 71.54 112.46 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -55.25 -35.9 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 75.14 110.866 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.52 110.87 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.55 -21.35 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.3 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -116.92 15.2 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.93 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -68.82 -32.28 71.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 63.04 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.704 ' HB2' HD12 ' A' ' 48' ' ' ILE . 7.3 m120 -92.58 -27.24 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.949 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -60.32 144.77 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 64.12 110.942 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.99 -169.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 54.04 110.856 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.19 -14.97 61.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.869 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.94 -22.16 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.893 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.551 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.69 -5.89 70.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.527 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.4 p -114.26 144.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.705 0.288 . . . . 74.45 111.199 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.781 HG13 HD23 ' A' ' 60' ' ' LEU . 32.7 mm -67.96 136.76 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 74.51 111.131 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -72.31 162.94 28.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.9 mm -67.12 151.1 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 64.41 111.118 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.47 13.98 66.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 63.33 112.447 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.17 125.61 50.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 53.13 111.113 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HA ' HG23 ' A' ' 104' ' ' ILE . 16.7 mt-10 -68.17 136.61 53.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.266 -0.424 . . . . 65.35 110.867 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.718 HG23 HD11 ' A' ' 60' ' ' LEU . 6.9 p -91.74 145.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 72.42 111.135 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -161.19 172.8 16.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.7 142.96 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 74.11 110.884 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.04 0.5 82.62 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.767 -0.73 . . . . 50.43 112.371 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -104.63 92.34 4.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 74.23 110.852 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.8 OUTLIER -64.94 -37.67 88.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 63.34 110.932 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 HG13 ' A' ' 48' ' ' ILE . 5.3 mt 64.45 13.79 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.51 110.912 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -151.57 130.94 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 71.21 111.149 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.37 100.79 2.31 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 71.04 112.477 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 64' ' ' VAL . 20.8 ttpt -135.95 120.1 17.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.84 0.352 . . . . 74.02 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 30' ' ' ASP . 1.7 m -156.09 161.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 72.21 111.117 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.53 151.54 74.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.608 0.718 . . . . 75.31 111.173 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 138.0 36.57 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.718 2.279 . . . . 72.32 112.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.83 168.51 12.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 61.4 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.33 172.02 19.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.742 -0.742 . . . . 62.55 112.496 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.15 -28.42 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.926 0.393 . . . . 70.31 111.166 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -55.15 -37.67 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.189 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -124.18 62.55 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 72.01 110.86 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tp -110.05 168.49 9.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 60.42 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.4 p -95.12 154.55 17.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.145 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.39 -31.75 67.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 64.11 111.185 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -63.5 -34.84 78.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.886 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 79' ' ' LEU . 69.6 mm-40 -65.33 -30.87 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 72.21 110.845 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -71.93 -49.09 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.854 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.3 -26.21 61.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD23 HD12 ' A' ' 82' ' ' ILE . 8.2 mt -59.62 -26.23 65.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.973 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -61.91 -31.59 71.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.01 110.914 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.51 -25.37 57.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.02 111.079 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.874 HD12 HD23 ' A' ' 79' ' ' LEU . 19.1 mt -76.26 -60.6 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 73.32 111.174 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.15 -25.72 58.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 72.31 110.865 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.64 27.53 72.34 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.695 -0.764 . . . . 34.15 112.505 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.27 141.4 14.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 71.23 110.891 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -69.05 125.17 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.935 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -125.5 149.97 47.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 63.11 111.033 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.36 158.65 15.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 72.01 110.87 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -116.52 163.1 16.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 74.52 110.892 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t -134.64 154.47 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 63.51 111.07 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.449 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 tmt_? -109.47 136.75 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.876 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 96.86 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.842 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.7 p -115.29 25.01 11.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 51.14 111.151 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.672 ' CB ' HD22 ' A' ' 59' ' ' LEU . 34.4 m -72.01 169.83 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 71.52 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' CD2' HG23 ' A' ' 97' ' ' VAL . 2.6 tt -75.64 149.27 38.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 71.33 110.933 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.64 134.97 40.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 95' ' ' LEU . 10.9 t -125.18 131.31 24.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 52.15 111.152 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 160.78 48.46 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 54.31 112.407 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -65.72 134.24 52.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 63.35 110.902 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -50.4 4.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 52.11 112.471 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.509 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.46 -35.71 3.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.432 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 -38.6 3.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 65.03 112.488 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.498 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.72 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 75.45 112.508 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 53' ' ' GLU . 57.8 mt -135.57 148.3 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 75.13 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.472 HD13 HG13 ' A' ' 131' ' ' ILE . 28.7 mm -65.08 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.41 111.165 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -105.12 -22.29 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.844 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.89 155.67 33.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.12 110.911 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -150.43 124.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.13 111.125 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -101.75 131.52 48.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.918 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.11 123.44 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 72.31 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.511 ' CD2' HD12 ' A' ' 126' ' ' LEU . 14.3 m-85 -108.95 141.76 40.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.917 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -132.05 149.01 52.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.85 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 54.43 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -63.83 -29.79 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -74.0 -22.32 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.883 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.06 18.68 9.64 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 55.14 112.534 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.11 122.53 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 73.13 110.848 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -71.52 145.81 48.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 62.43 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 126' ' ' LEU . 7.3 mt -129.95 158.23 74.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.547 0.689 . . . . 75.22 110.985 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 168.18 22.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.699 2.266 . . . . 75.1 112.361 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.2 10.84 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 74.12 112.335 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.18 -14.11 51.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 64.21 112.449 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.08 144.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 72.33 111.053 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -116.24 -24.44 7.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 73.31 110.847 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.01 167.26 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.32 110.901 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -147.2 128.97 15.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.872 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.584 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.1 143.78 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 54.52 111.133 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -133.39 153.29 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.432 ' CG1' HD12 ' A' ' 105' ' ' ILE . 19.7 t -112.79 151.56 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.156 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -123.99 112.68 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.34 110.859 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.472 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -119.83 131.01 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 75.34 111.081 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 10' ' ' ILE . 10.5 m -104.81 118.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.096 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 8' ' ' ILE . 2.9 mp0 -66.92 148.97 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.53 110.946 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -118.09 142.45 47.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 55.02 110.922 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -92.16 154.9 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.926 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -136.44 146.27 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 75.34 110.875 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.5 160.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.2 t -73.87 120.56 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 33.3 110.831 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -90.86 131.37 36.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.882 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 100.61 -20.96 46.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.667 -0.777 . . . . 65.11 112.488 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 74.13 110.791 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.759 0.314 . . . . 63.21 110.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 p -137.82 146.42 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 45.01 111.124 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -115.5 159.06 21.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 71.45 110.963 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.4 t -138.1 158.86 43.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 73.5 111.137 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.11 -174.47 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.793 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -101.79 114.9 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 55.43 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -113.16 159.59 19.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 65.44 110.885 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.651 HG12 HG12 ' A' ' 132' ' ' VAL . 96.0 mt -139.68 143.13 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 72.52 111.08 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -77.58 167.24 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 55.02 110.874 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -137.41 111.13 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 75.35 110.906 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CE2' HD13 ' A' ' 131' ' ' ILE . 69.9 m-85 -119.71 135.2 54.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 61.54 110.926 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 95' ' ' LEU . 58.2 tt0 -116.04 161.96 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 63.43 110.83 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 t -173.6 122.25 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -142.75 135.8 28.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 71.2 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.803 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -72.76 97.76 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 53.14 111.026 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -83.27 147.72 27.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.895 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -74.82 130.87 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.416 . . . . 73.34 110.843 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.3 167.75 17.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 72.02 111.122 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 6.36 40.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.89 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.56 -0.99 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.49 79.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 52.15 112.511 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 168.43 21.67 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.754 2.302 . . . . 61.03 112.283 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -139.95 -44.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.833 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.62 156.79 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.834 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.803 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.5 tt -82.38 146.04 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.14 111.175 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.673 HG23 HG23 ' A' ' 64' ' ' VAL . 12.3 t -148.5 178.75 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 53.03 111.074 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -119.82 120.11 35.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.481 ' HB3' HG21 ' A' ' 64' ' ' VAL . 19.8 t70 -148.67 90.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.457 . . . . 64.35 110.847 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.782 HG22 HG21 ' A' ' 34' ' ' VAL . 6.8 mm -111.35 81.81 3.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.672 . . . . 73.13 111.157 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 162.91 40.25 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.687 2.258 . . . . 74.13 112.303 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 63.4 19.18 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 71.22 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 HG22 ' A' ' 31' ' ' ILE . 84.1 t -123.5 139.16 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.148 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.56 154.81 53.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 71.54 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.61 -28.12 67.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 75.14 110.862 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.15 -34.07 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 75.52 110.838 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.71 -24.9 62.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.073 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 pp -115.61 15.18 16.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 75.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -53.01 -35.17 59.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 63.04 110.897 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.751 ' HB2' HD12 ' A' ' 48' ' ' ILE . 25.6 m120 -81.1 -24.46 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.843 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' N ' HD13 ' A' ' 48' ' ' ILE . 2.0 tp -52.3 153.29 2.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.825 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -114.63 -176.1 2.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.49 . . . . 54.04 110.89 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.39 -19.96 62.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -77.0 -12.41 59.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.11 110.837 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.82 17.57 61.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 63.25 112.465 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -137.06 149.18 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 74.45 111.067 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD12 ' HB2' ' A' ' 41' ' ' ASN . 40.8 mm -67.77 137.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.51 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -81.41 163.11 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.905 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.8 mt -67.36 147.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.41 111.109 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.44 7.17 60.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.714 -0.755 . . . . 63.33 112.446 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.25 128.53 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 53.13 111.079 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.692 ' HA ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -67.4 137.79 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.904 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.725 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.7 p -91.71 149.07 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.42 111.158 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.21 172.22 17.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.827 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.28 134.38 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 74.11 110.887 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.74 -2.88 82.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.744 -0.741 . . . . 50.43 112.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -97.24 96.43 8.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.23 110.859 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -67.33 -29.22 68.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 63.34 110.861 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 105' ' ' ILE . 41.4 mt 62.52 16.74 8.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 74.51 110.897 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 95' ' ' LEU . 4.6 p -170.49 143.72 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.102 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.36 100.55 1.55 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 71.04 112.527 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 64' ' ' VAL . 3.2 ttpm? -129.06 120.88 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 74.02 110.87 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.673 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.49 133.14 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.108 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.13 157.86 38.61 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.648 0.737 . . . . 75.31 111.1 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 159.25 54.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 72.32 112.326 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -127.96 174.77 8.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 61.4 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.95 -177.6 18.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 62.55 112.533 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.533 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.4 p -88.54 -25.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.379 . . . . 70.31 111.105 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 p -72.38 -21.78 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.149 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -95.33 35.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 72.01 110.895 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.73 HD11 ' HG2' ' A' ' 89' ' ' GLU . 6.9 mp -98.72 163.56 12.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.42 110.959 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.3 p -113.88 175.56 5.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.151 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -63.26 -26.89 68.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 64.11 111.087 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -77.39 -34.53 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.915 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -47.73 15.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.87 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -52.18 -34.22 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -84.32 -25.56 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.927 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -55.02 -26.56 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.916 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -58.52 -44.83 89.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 75.01 110.893 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.96 -24.82 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.02 111.111 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mm -69.29 -60.15 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 73.32 111.197 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -75.11 -26.02 58.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 72.31 110.855 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.54 19.61 71.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 34.15 112.462 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -145.6 171.78 14.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.913 0.387 . . . . 71.23 110.91 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -72.9 137.58 45.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.871 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.76 165.39 15.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 63.11 111.086 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -110.49 135.08 51.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.73 ' HG2' HD11 ' A' ' 72' ' ' LEU . 4.9 mp0 -106.55 130.27 54.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.835 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.33 161.19 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.51 111.172 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -109.49 150.12 28.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 63.42 110.874 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.596 ' HA ' HG12 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -105.27 96.96 6.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.855 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -111.26 32.17 5.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 51.14 111.162 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.737 ' CB ' HD22 ' A' ' 59' ' ' LEU . 19.3 m -70.31 169.29 14.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.782 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 97' ' ' VAL . 5.8 tt -78.13 149.28 33.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 71.33 110.956 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -97.6 144.88 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 63.41 110.907 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 95' ' ' LEU . 27.2 t -141.14 129.23 12.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 52.15 111.133 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.61 167.85 23.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.728 2.285 . . . . 54.31 112.363 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.15 122.34 16.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 63.35 110.889 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 83.91 -50.54 4.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 52.11 112.446 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.91 -34.57 4.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 63.32 112.493 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.55 -39.02 2.92 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.667 -0.777 . . . . 65.03 112.484 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.46 -159.7 9.14 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 75.45 112.479 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG23 ' HA ' ' A' ' 53' ' ' GLU . 96.2 mt -131.0 148.91 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 75.13 111.095 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.817 HD11 HD13 ' A' ' 60' ' ' LEU . 30.0 mm -63.84 100.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 111.101 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -105.09 -23.74 12.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 70.15 110.911 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.14 145.16 32.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 71.12 110.917 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.5 t -150.09 125.51 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 62.13 111.134 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 139.81 40.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.861 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.3 p -145.65 122.53 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.089 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -111.24 133.41 53.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 62.23 110.875 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 114' ' ' GLU . 2.7 t-20 -113.18 132.26 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.911 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.12 -39.07 84.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 54.43 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 9.4 mm-40 -67.2 -24.01 65.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 73.01 110.877 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -73.93 -12.73 60.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.835 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 22.05 7.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 55.14 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -103.78 114.99 29.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 73.13 110.885 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 119' ' ' LEU . 20.0 tt0 -69.55 149.87 47.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.87 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 123' ' ' VAL . 5.3 mp -142.79 160.26 53.98 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 75.22 110.921 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.82 23.3 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.778 2.319 . . . . 75.1 112.345 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 119.19 6.17 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.724 2.283 . . . . 74.12 112.333 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.51 -19.47 16.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 64.21 112.517 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.511 ' CG1' HD23 ' A' ' 119' ' ' LEU . 47.8 t -102.65 145.1 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.795 0.331 . . . . 72.33 111.147 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -116.89 -24.2 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -149.79 167.22 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 127' ' ' VAL . 0.9 OUTLIER -146.07 127.14 14.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 62.41 111.009 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.576 ' N ' HD13 ' A' ' 126' ' ' LEU . 6.8 p -147.0 123.54 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 54.52 111.136 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -116.2 132.41 56.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 64.11 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 105' ' ' ILE . 22.8 t -101.07 140.32 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 71.52 111.195 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -118.54 137.69 53.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 64.34 110.867 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.572 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -132.49 106.24 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 75.34 111.103 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.651 HG12 HG12 ' A' ' 10' ' ' ILE . 33.8 m -81.89 145.23 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.17 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -96.83 119.07 34.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.935 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -106.54 115.5 30.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.904 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -124.68 167.35 14.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -89.15 145.64 25.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.846 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.44 165.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 52.43 111.09 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.406 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.3 p -52.09 124.03 11.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 33.3 110.786 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -129.05 -44.75 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.913 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 108.64 11.06 23.95 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 65.11 112.431 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.1 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 74.13 110.883 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.821 0.343 . . . . 63.21 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.6 143.61 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 45.01 111.168 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -89.81 151.47 21.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.929 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -164.26 161.37 21.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 73.5 111.159 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -179.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.857 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' H ' HD12 ' A' ' 8' ' ' ILE . 5.4 mp -85.39 132.51 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 55.43 111.133 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -156.22 159.2 38.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.755 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.9 mm -118.67 116.29 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.096 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 157.49 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 55.02 110.88 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -142.23 111.5 6.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.84 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.42 146.16 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 61.54 110.984 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' O ' HD12 ' A' ' 95' ' ' LEU . 3.6 tt0 -117.88 149.12 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.901 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' HG11 ' A' ' 61' ' ' VAL . 1.6 t -161.84 107.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 61.11 110.878 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HB2' HG13 ' A' ' 123' ' ' VAL . 11.3 pt-20 -131.02 136.47 48.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 71.2 110.849 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -71.63 97.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 53.14 111.141 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -82.76 136.66 34.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 142.05 58.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.872 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 t -103.86 165.47 11.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 72.02 111.168 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 6.62 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.956 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.95 2.6 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.913 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.77 79.82 1.11 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.788 -0.72 . . . . 52.15 112.484 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 168.42 21.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 61.03 112.318 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -140.67 -46.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -168.28 152.58 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.89 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.511 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.4 tt -75.17 146.2 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.079 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.691 HG23 HG23 ' A' ' 64' ' ' VAL . 10.2 t -151.71 -179.62 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 53.03 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.19 125.06 43.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' N ' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.17 85.01 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 64.35 110.908 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.4 mm -110.33 82.54 2.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.67 0.748 . . . . 73.13 111.219 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 155.57 65.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.226 . . . . 74.13 112.342 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 63.67 24.61 13.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.99 154.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.44 111.104 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.72 161.09 38.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.653 -0.784 . . . . 71.54 112.492 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -72.03 -26.08 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 75.14 110.863 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -69.73 -38.17 76.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.79 -22.37 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.136 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -113.07 15.29 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -72.42 -27.77 62.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 63.04 110.818 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.6 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.2 m120 -103.11 -26.42 13.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 71.13 110.92 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 139.11 54.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 64.12 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -103.67 -171.59 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 54.04 110.869 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.89 -15.02 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.33 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -77.16 -21.99 53.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.893 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.75 17.25 45.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.666 -0.778 . . . . 63.25 112.478 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.2 p -133.74 141.15 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.45 111.183 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.744 HG13 HD23 ' A' ' 60' ' ' LEU . 37.0 mm -67.77 137.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.154 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -73.53 163.46 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.805 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.6 mt -71.7 146.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.41 111.102 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.58 10.65 60.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.33 112.456 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 130.09 51.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.329 . . . . 53.13 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.787 ' HA ' HG23 ' A' ' 104' ' ' ILE . 38.1 mt-10 -67.35 135.7 53.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 65.35 110.871 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.751 HG23 HD11 ' A' ' 60' ' ' LEU . 5.6 p -91.7 148.49 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.15 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -161.2 173.39 15.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.869 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.86 137.36 55.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.818 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.08 -9.29 78.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 50.43 112.466 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -105.45 100.53 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 74.23 110.818 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.575 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.97 -27.78 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.933 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.803 HD13 HD11 ' A' ' 105' ' ' ILE . 7.7 mt 65.59 12.55 8.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.919 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG11 ' OG ' ' A' ' 15' ' ' SER . 71.1 t -151.96 129.41 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 71.21 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.98 100.89 2.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.813 -0.708 . . . . 71.04 112.528 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 64' ' ' VAL . 11.1 ttpt -130.92 118.92 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.02 110.916 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG23 HG23 ' A' ' 28' ' ' THR . 1.2 m -156.07 131.91 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 72.21 111.124 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.41 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -113.87 158.28 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.556 0.693 . . . . 75.31 111.211 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HD2' HG22 ' A' ' 65' ' ' THR . 52.9 Cg_endo -69.71 153.51 69.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.773 2.315 . . . . 72.32 112.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -113.45 174.15 6.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 61.4 110.927 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.2 166.85 12.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 62.55 112.515 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -94.61 -25.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.881 0.372 . . . . 70.31 111.168 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.0 p -58.97 -38.42 79.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.197 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -111.52 46.14 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 89' ' ' GLU . 9.5 tp -72.85 165.56 24.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 60.42 110.912 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.1 p -93.63 160.76 14.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.201 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.25 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.071 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.57 -34.49 53.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.936 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 79' ' ' LEU . 21.9 mm-40 -79.23 -47.6 15.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.914 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -51.92 -34.34 41.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.36 -27.28 27.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.947 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 76' ' ' GLU . 8.7 mt -63.23 -25.92 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 73.12 110.94 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -59.13 -42.52 90.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.923 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.36 63.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.129 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.96 -58.96 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.081 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -75.01 -25.99 59.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.31 110.916 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.28 27.3 70.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.722 . . . . 34.15 112.41 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -149.16 161.08 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 71.23 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -61.2 129.77 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 71.34 110.913 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.21 170.15 9.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.144 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.63 134.41 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.821 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' ' 72' ' ' LEU . 16.8 mp0 -109.59 147.37 33.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 74.52 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.455 HG11 ' OD2' ' A' ' 30' ' ' ASP . 5.7 p -140.85 158.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 63.51 111.117 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -109.68 140.44 43.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 63.42 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 64' ' ' VAL . 2.7 p-10 -93.75 96.85 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -113.29 36.55 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 51.14 111.127 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.12 169.99 17.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.52 110.883 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' GLU . 8.7 tt -74.95 149.69 39.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.917 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.44 132.53 43.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.41 110.876 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.5 t -123.89 130.31 24.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.686 0.755 . . . . 52.15 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.643 2.229 . . . . 54.31 112.358 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -65.19 122.61 17.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.841 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.7 -50.51 4.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 52.11 112.543 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.93 -34.83 3.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 63.32 112.478 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.92 -34.48 5.33 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 65.03 112.528 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -132.85 -159.56 9.23 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.72 -0.752 . . . . 75.45 112.479 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HA ' ' A' ' 53' ' ' GLU . 60.8 mt -132.48 149.14 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 75.13 111.118 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.803 HD11 HD13 ' A' ' 60' ' ' LEU . 28.3 mm -64.86 101.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.113 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -105.17 -23.81 12.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 70.15 110.859 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -143.56 148.07 35.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.824 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.8 t -150.48 116.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.13 111.157 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -101.08 137.0 40.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.05 110.943 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.791 HG23 HG22 ' A' ' 127' ' ' VAL . 6.2 p -142.49 121.96 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.139 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -111.05 140.07 45.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 62.23 110.878 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -129.0 138.17 51.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -57.95 -29.23 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 54.43 110.893 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -59.44 -30.29 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 73.01 110.918 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.07 -22.07 59.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.881 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.09 21.31 7.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.749 -0.738 . . . . 55.14 112.517 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -92.09 108.05 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 73.13 110.803 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.65 142.19 50.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.43 110.903 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.1 mt -132.54 159.02 74.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.662 0.744 . . . . 75.22 110.931 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 167.83 23.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.643 2.229 . . . . 75.1 112.297 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 122.17 8.86 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.69 2.26 . . . . 74.12 112.385 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.57 -17.03 33.91 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 64.21 112.536 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 16' ' ' GLU . 99.8 t -103.75 144.4 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 72.33 111.194 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -115.23 -26.58 7.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.988 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -150.43 167.05 28.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.986 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.9 tm? -142.7 127.34 18.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 62.41 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 HG23 ' A' ' 110' ' ' VAL . 22.1 t -143.86 137.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.093 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -132.18 147.72 52.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 64.11 110.874 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.456 ' CG1' HD12 ' A' ' 105' ' ' ILE . 17.2 t -109.08 152.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -128.14 112.73 14.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 64.34 110.935 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.493 HG13 HD13 ' A' ' 105' ' ' ILE . 2.2 mp -118.83 118.0 56.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.485 . . . . 75.34 111.164 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.755 HG12 ' CD1' ' A' ' 10' ' ' ILE . 32.7 m -92.99 136.3 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.82 125.03 34.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.887 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.08 136.28 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 55.02 110.894 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -77.13 163.97 26.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -62.38 148.49 45.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.959 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.427 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.46 167.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 52.43 111.1 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.9 p -52.08 122.92 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 33.3 110.828 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -68.9 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.879 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.5 -19.67 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 65.11 112.447 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.715 0.293 . . . . 74.13 110.893 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.837 0.351 . . . . 63.21 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.11 143.79 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 45.01 111.137 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -134.34 134.26 41.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.45 110.923 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 p -76.08 150.29 37.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.075 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -174.32 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.844 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -104.5 144.39 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 55.43 111.09 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -115.73 159.48 21.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 65.44 110.861 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.661 HG12 HG12 ' A' ' 132' ' ' VAL . 66.4 mt -124.34 143.27 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.117 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.21 161.9 21.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 55.02 110.829 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -142.25 111.55 6.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 75.35 110.876 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -114.88 148.65 38.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 61.54 110.953 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -116.05 138.78 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB2' HG21 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -148.28 107.51 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 61.11 110.853 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -131.16 137.1 48.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 71.2 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -70.84 98.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 53.14 111.105 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -82.35 136.27 35.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.905 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -66.27 132.46 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.0 t -83.0 167.86 17.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 72.02 111.128 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.39 6.53 40.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.864 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.83 -3.35 28.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 62.04 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 78.48 1.41 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.73 . . . . 52.15 112.485 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 166.7 26.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.626 2.218 . . . . 61.03 112.372 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -139.82 -42.17 0.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.949 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -163.93 151.57 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 74.23 110.903 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.627 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.9 tt -75.49 140.11 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.117 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.757 HG23 HG23 ' A' ' 64' ' ' VAL . 7.7 t -134.62 -179.09 5.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 53.03 111.087 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.42 120.58 28.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.888 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.95 96.21 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.875 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.687 HG22 HG21 ' A' ' 34' ' ' VAL . 10.0 mm -110.88 81.34 2.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.603 0.716 . . . . 73.13 111.137 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.34 50.09 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.688 2.258 . . . . 74.13 112.367 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 63.01 18.64 11.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 71.22 110.924 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.687 HG21 HG22 ' A' ' 31' ' ' ILE . 95.6 t -127.33 126.26 67.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 74.44 111.109 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.77 165.79 52.34 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 71.54 112.546 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' HG2' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -65.84 -30.05 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 75.14 110.881 -179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.01 -41.3 96.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 75.52 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB3' ' CG1' ' A' ' 34' ' ' VAL . . . -62.38 -24.63 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 73.3 111.103 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD11 ' HG2' ' A' ' 36' ' ' GLU . 4.1 pp -113.71 15.24 18.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.94 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -53.45 -32.29 49.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 63.04 110.956 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.803 ' HB2' HG23 ' A' ' 48' ' ' ILE . 2.8 m120 -82.71 -31.4 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 71.13 110.909 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 48' ' ' ILE . 0.5 OUTLIER -54.18 140.24 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.949 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.94 -168.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 54.04 110.839 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.46 -14.53 61.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.853 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.78 -13.9 59.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.63 -11.28 66.75 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 63.25 112.494 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 60' ' ' LEU . 21.6 t -112.01 151.45 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 74.45 111.144 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.803 HG23 ' HB2' ' A' ' 41' ' ' ASN . 34.2 mm -67.16 127.24 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.51 111.132 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -56.16 163.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.97 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.455 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.2 mm -70.96 153.13 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 64.41 111.169 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.15 12.82 69.96 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.791 -0.719 . . . . 63.33 112.498 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.78 133.12 49.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 53.13 111.076 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.711 ' HA ' HG23 ' A' ' 104' ' ' ILE . 11.7 mt-10 -71.88 139.05 48.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.914 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 103' ' ' GLY . 3.6 p -91.66 142.71 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.115 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 176.37 11.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.92 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.35 144.15 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.801 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.05 3.43 89.48 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 50.43 112.453 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -102.89 93.94 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 74.23 110.901 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 31' ' ' ILE . 4.9 mp -59.45 -33.47 71.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 63.34 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 HD11 ' A' ' 105' ' ' ILE . 72.7 mt 59.37 19.52 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.947 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 HD23 ' A' ' 95' ' ' LEU . 8.6 p -168.43 135.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 71.21 111.089 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -99.4 101.98 2.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 71.04 112.561 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -146.41 119.31 8.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 74.02 110.896 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.757 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.21 111.149 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.76 159.21 30.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 75.31 111.108 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.772 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.6 Cg_endo -69.8 156.89 62.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 72.32 112.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.4 mtmt -100.97 175.1 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.871 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.86 -176.03 49.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 62.55 112.528 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -89.42 -30.35 5.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.952 0.406 . . . . 70.31 111.089 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 m -89.13 -22.45 22.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.148 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.86 -32.1 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.919 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.44 155.01 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 60.42 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -119.98 177.05 5.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.158 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.31 68.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 64.11 111.069 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.31 -38.01 85.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.871 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mp0 -74.63 -30.55 61.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.865 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -48.95 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 75.45 110.915 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -72.76 -27.52 62.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.915 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 76' ' ' GLU . 11.3 mt -61.44 -24.82 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.951 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -58.92 -42.07 88.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.01 110.834 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.62 -24.64 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 71.02 111.095 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.25 -59.44 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 73.32 111.109 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -76.26 -25.97 55.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.6 -26.98 13.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.824 -0.703 . . . . 34.15 112.418 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -131.36 152.49 50.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 71.23 110.925 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -78.48 137.63 38.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.901 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -119.89 125.72 49.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 63.11 111.107 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.33 137.65 28.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.845 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -116.04 140.28 49.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.9 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.772 HG12 ' HA ' ' A' ' 66' ' ' PRO . 6.6 m -132.53 171.16 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 63.51 111.108 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -110.11 134.46 52.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.827 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.657 ' HA ' HG12 ' A' ' 64' ' ' VAL . 8.1 p-10 -71.95 96.8 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.6 p -102.02 4.52 39.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 51.14 111.117 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.441 ' CB ' HD23 ' A' ' 59' ' ' LEU . 29.7 m -54.6 170.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 71.52 110.856 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 97' ' ' VAL . 2.9 pp -79.17 150.55 31.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 71.33 110.879 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -96.74 114.71 26.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.608 HG23 HD11 ' A' ' 95' ' ' LEU . 2.1 t -88.84 137.28 30.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 52.15 111.11 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.0 51.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 54.31 112.351 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -65.54 125.21 24.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 63.35 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 85.5 -49.98 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 52.11 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.32 -35.02 3.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.798 -0.715 . . . . 63.32 112.514 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.8 -38.75 3.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.649 -0.786 . . . . 65.03 112.435 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.3 -158.06 8.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.843 -0.694 . . . . 75.45 112.507 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.711 HG23 ' HA ' ' A' ' 53' ' ' GLU . 55.0 mt -131.36 148.99 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.73 0.3 . . . . 75.13 111.159 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.668 HD11 HD13 ' A' ' 60' ' ' LEU . 33.9 mm -64.89 101.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.035 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -105.09 -21.95 13.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.861 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -150.42 146.65 26.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 71.12 110.828 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.455 ' HB ' HD11 ' A' ' 50' ' ' ILE . 92.2 t -150.36 121.1 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 62.13 111.061 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -100.9 141.43 33.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.05 110.891 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 127' ' ' VAL . 6.3 p -145.96 122.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.31 111.155 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -112.02 151.12 29.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.869 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -128.44 131.6 48.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -60.08 -40.31 89.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 54.43 110.893 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -64.79 -22.06 66.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 73.01 110.875 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.89 -15.45 61.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 22.22 7.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 55.14 112.465 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -102.31 108.15 19.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.13 110.86 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -58.11 140.72 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 62.43 110.853 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.0 mt -134.17 159.1 73.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 75.22 110.968 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 167.76 23.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.273 . . . . 75.1 112.361 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 122.37 9.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.241 . . . . 74.12 112.321 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.03 -14.87 37.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.739 . . . . 64.21 112.522 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 90.7 t -106.68 144.37 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 72.33 111.123 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -112.75 -28.92 7.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 73.31 110.851 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -147.09 167.07 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.876 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.676 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -138.08 132.24 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.916 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.713 HG22 HG23 ' A' ' 110' ' ' VAL . 39.3 t -146.66 133.83 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 54.52 111.122 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -128.2 135.32 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.9 t -105.49 143.74 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.082 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -123.21 128.97 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 64.34 110.867 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.523 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -126.61 110.95 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 75.34 111.137 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.661 HG12 HG12 ' A' ' 10' ' ' ILE . 28.5 m -85.2 134.39 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.129 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -78.45 143.99 36.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.53 110.922 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.6 pptp? -125.83 157.65 37.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 55.02 110.883 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -64.25 125.56 24.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -98.93 144.96 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.931 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.471 HD13 ' HG3' ' A' ' 139' ' ' GLU . 2.9 pp -51.55 169.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.406 . . . . 52.43 111.096 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.3 t -98.58 121.43 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 33.3 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.471 ' HG3' HD13 ' A' ' 137' ' ' ILE . 7.6 mt-10 -162.04 150.12 14.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 73.41 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.07 -21.99 19.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 65.11 112.438 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 40.4 t0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.79 0.329 . . . . 74.13 110.838 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.828 0.346 . . . . 63.21 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -121.26 145.69 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 45.01 111.107 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -90.01 143.21 26.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 71.45 110.914 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 t -140.57 157.38 45.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 73.5 111.175 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.18 -174.22 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.8 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -100.47 124.6 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 55.43 111.179 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -162.83 159.25 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 65.44 110.888 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.684 HG12 HG12 ' A' ' 132' ' ' VAL . 91.3 mt -113.84 143.05 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.153 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.75 168.62 17.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 55.02 110.87 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -142.26 111.61 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 75.35 110.912 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -115.13 141.21 48.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 61.54 110.886 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -116.31 149.46 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 63.43 110.857 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' HG12 ' A' ' 127' ' ' VAL . 1.2 m -162.01 107.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.877 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -129.75 135.72 48.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.908 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.946 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.45 97.72 3.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 53.14 111.122 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -85.37 144.33 28.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.86 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.46 126.91 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.834 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.7 t -82.54 167.84 17.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 72.02 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.45 6.47 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.412 . . . . 74.45 110.892 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.37 -2.88 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.04 110.91 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.26 78.56 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 52.15 112.49 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 168.43 21.65 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.634 2.223 . . . . 61.03 112.357 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -140.13 -45.87 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.918 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -169.06 150.69 4.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.911 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.946 HD12 ' HB2' ' A' ' 17' ' ' ALA . 7.1 tt -80.06 146.31 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.14 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.514 HG23 HG23 ' A' ' 64' ' ' VAL . 8.0 t -152.78 -175.13 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 53.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -123.33 120.88 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.808 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' N ' HG21 ' A' ' 64' ' ' VAL . 6.4 t70 -147.69 92.81 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 64.35 110.796 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.569 HG22 ' HB ' ' A' ' 34' ' ' VAL . 4.7 mp -126.22 81.77 66.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.649 0.737 . . . . 73.13 111.112 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 160.39 49.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 74.13 112.309 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 64.24 16.1 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.832 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.569 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -87.61 156.52 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 74.44 111.11 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.96 138.84 25.21 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 71.54 112.502 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.9 -34.11 69.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 75.14 110.893 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -68.52 -33.82 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 75.52 110.845 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.79 -22.61 66.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.081 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.17 15.3 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.935 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -70.81 -31.74 68.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 63.04 110.853 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.646 ' HB2' HG23 ' A' ' 48' ' ' ILE . 0.9 OUTLIER -95.91 -28.95 14.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.13 110.94 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.33 138.42 45.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.891 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.43 -169.92 1.64 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 54.04 110.839 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.76 -14.15 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -76.82 -22.19 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.853 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.03 8.84 61.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 63.25 112.43 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.508 HG13 ' O ' ' A' ' 60' ' ' LEU . 86.2 t -127.72 143.35 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 74.45 111.11 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.646 HG23 ' HB2' ' A' ' 41' ' ' ASN . 35.7 mm -67.72 138.01 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.102 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -71.45 163.39 27.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 108' ' ' VAL . 23.0 mm -69.41 152.13 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 64.41 111.103 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.05 73.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.433 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.09 128.35 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.743 0.306 . . . . 53.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.79 ' HA ' HG23 ' A' ' 104' ' ' ILE . 13.3 tt0 -67.55 134.75 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.411 . . . . 65.35 110.905 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.638 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.8 p -91.88 145.91 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 72.42 111.143 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -161.42 168.22 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -51.5 126.01 16.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.304 -0.407 . . . . 74.11 110.9 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.82 -14.94 49.17 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 50.43 112.446 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -101.55 102.46 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 110.876 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.573 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.44 -25.55 54.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 63.34 110.922 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD13 HD11 ' A' ' 105' ' ' ILE . 9.2 mt 66.35 11.69 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.927 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.471 HG21 ' HB2' ' A' ' 95' ' ' LEU . 29.6 m -152.2 137.7 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.059 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -103.26 101.37 2.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.741 . . . . 71.04 112.475 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG2' HG23 ' A' ' 93' ' ' THR . 7.9 ttpp -134.61 121.43 20.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 74.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.2 m -155.88 123.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 72.21 111.133 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.19 157.69 33.27 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.641 0.734 . . . . 75.31 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 151.35 68.99 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.678 2.252 . . . . 72.32 112.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -88.75 174.93 7.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 61.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -128.0 111.47 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 62.55 112.478 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -53.84 -32.86 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 70.31 111.107 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.2 t -60.77 -24.64 65.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.09 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -118.11 35.52 4.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.876 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 72' ' ' LEU . 8.6 tp -73.51 168.02 20.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 60.42 110.925 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.5 p -96.83 153.98 17.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 73.31 111.095 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.29 -34.11 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.11 111.085 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.69 -34.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -78.78 -31.02 45.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.897 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -71.79 -49.04 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.841 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -66.48 -13.64 61.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.949 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' A' ' 83' ' ' PHE . 11.2 tp -72.96 -7.73 52.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.861 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -55.47 -39.51 70.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 75.01 110.858 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.08 -20.9 47.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.114 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mm -81.53 -57.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.32 111.089 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.558 ' CE1' HD21 ' A' ' 79' ' ' LEU . 3.8 m-85 -77.42 -25.9 51.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.877 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.42 18.48 55.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.697 -0.763 . . . . 34.15 112.524 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -162.04 143.61 10.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 71.23 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.72 121.93 23.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.975 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -112.51 142.26 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 63.11 111.12 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -78.71 137.02 37.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.263 -0.426 . . . . 72.01 110.906 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -116.38 160.02 21.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.889 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 30' ' ' ASP . 5.1 p -139.14 160.78 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 63.51 111.099 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -109.59 131.14 55.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.651 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.8 p-10 -89.5 98.16 11.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 53.42 110.872 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 63' ' ' LYS . 9.4 t -110.62 30.95 6.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 51.14 111.121 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m -69.71 170.33 11.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.823 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 96' ' ' ARG . 9.7 tt -74.68 149.62 39.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.947 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.58 ' N ' HD23 ' A' ' 95' ' ' LEU . 2.9 mpt_? -98.84 114.85 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 63.41 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.7 t -105.04 131.28 21.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 52.15 111.099 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 163.37 38.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 54.31 112.312 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -65.13 122.72 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 63.35 110.85 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.98 -50.7 4.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.779 -0.724 . . . . 52.11 112.424 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.53 -34.63 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.32 112.512 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.83 -38.51 3.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 65.03 112.531 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.62 9.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 75.45 112.487 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 ' HA ' ' A' ' 53' ' ' GLU . 62.0 mt -129.69 148.36 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.773 0.321 . . . . 75.13 111.123 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.77 HD11 HD13 ' A' ' 60' ' ' LEU . 30.1 mm -65.37 103.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.41 111.041 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -105.17 -22.05 13.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 70.15 110.848 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -149.46 148.51 29.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.265 -0.425 . . . . 71.12 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.426 ' HB ' HD11 ' A' ' 50' ' ' ILE . 98.5 t -150.47 121.78 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -101.03 134.11 44.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.863 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.87 128.29 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.31 111.132 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.418 ' CD2' HD12 ' A' ' 126' ' ' LEU . 18.4 m-85 -119.9 132.74 55.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 62.23 110.858 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.5 135.41 53.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.911 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -56.74 -37.74 71.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 54.43 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.0 -31.16 68.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.844 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -74.02 -17.2 61.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.813 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.15 22.1 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.689 . . . . 55.14 112.529 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -99.83 108.16 20.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 73.13 110.824 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.88 156.62 13.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 62.43 110.877 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.43 158.84 40.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.642 0.734 . . . . 75.22 110.934 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 168.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 75.1 112.355 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 120.83 7.55 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.625 2.217 . . . . 74.12 112.391 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 111.93 -20.8 21.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.737 . . . . 64.21 112.508 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.4 t -103.04 144.86 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 72.33 111.098 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -114.34 -25.61 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.959 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -150.7 162.62 40.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.918 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.3 tm? -142.6 123.85 14.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 62.41 110.886 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.481 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.0 p -143.03 142.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 54.52 111.165 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -134.41 158.06 44.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 64.11 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.494 ' CG1' HD12 ' A' ' 105' ' ' ILE . 21.6 t -117.15 150.14 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.058 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -128.09 113.21 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 64.34 110.946 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.539 HG13 HD13 ' A' ' 105' ' ' ILE . 1.7 mp -118.66 120.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.153 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.684 HG12 HG12 ' A' ' 10' ' ' ILE . 26.2 m -87.68 139.37 17.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.24 111.105 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -89.58 114.37 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 73.53 110.902 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -113.51 156.62 23.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 55.02 110.803 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -61.45 137.21 58.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.877 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.6 pttp -54.19 155.71 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.875 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.425 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.3 pp -131.05 168.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 52.43 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 t -140.65 159.72 41.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 33.3 110.874 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -60.05 -26.56 66.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.881 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 83.73 11.09 80.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 65.11 112.512 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 74.13 110.879 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.922 0.392 . . . . 63.21 110.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -145.07 143.18 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 45.01 111.146 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -110.96 135.87 50.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 71.45 110.98 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 t -124.93 155.89 38.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 73.5 111.152 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.52 -175.29 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.54 110.822 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.73 143.18 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 55.43 111.145 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -145.31 159.28 43.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 65.44 110.819 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.742 ' CD1' HG12 ' A' ' 132' ' ' VAL . 31.2 mm -119.06 115.73 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.52 111.084 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.44 161.62 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 55.02 110.89 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.41 111.31 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.871 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -116.59 143.14 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 61.54 110.899 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -115.71 146.1 42.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 63.43 110.908 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -158.1 107.75 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -127.17 146.5 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.876 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -81.69 97.75 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 53.14 111.121 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -85.07 143.46 28.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.895 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -70.89 132.14 44.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 t -82.21 168.1 18.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.127 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.21 6.39 40.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.903 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 -2.28 31.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.04 110.952 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.73 78.04 1.37 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.804 -0.712 . . . . 52.15 112.499 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 169.07 19.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 61.03 112.4 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -139.86 -41.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 75.32 110.97 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -165.4 156.7 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.89 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.507 HD12 ' HB2' ' A' ' 17' ' ' ALA . 9.3 tt -74.78 143.99 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 75.14 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -149.51 -179.16 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 53.03 111.139 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.21 126.07 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.857 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.539 ' N ' HG21 ' A' ' 64' ' ' VAL . 17.5 t70 -148.46 89.44 1.71 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 64.35 110.914 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -110.38 81.72 2.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.66 0.743 . . . . 73.13 111.084 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 146.81 61.9 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 74.13 112.344 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 63.6 33.19 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 p -98.78 153.34 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 74.44 111.159 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -82.85 140.52 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.477 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -27.39 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 75.14 110.895 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.65 -33.98 73.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.889 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -23.43 66.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.139 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 pp -111.94 15.12 20.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.937 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -67.97 -31.83 71.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 63.04 110.965 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.744 ' HB2' HG23 ' A' ' 48' ' ' ILE . 1.5 m120 -102.59 -24.31 13.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.866 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tp -57.09 142.55 41.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.479 . . . . 64.12 110.908 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -107.41 -170.1 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.294 -0.412 . . . . 54.04 110.893 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.89 -14.88 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -76.88 -21.99 54.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 71.11 110.924 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.69 11.84 54.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 63.25 112.432 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 60' ' ' LEU . 53.3 t -130.72 146.15 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 74.45 111.098 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.744 HG23 ' HB2' ' A' ' 41' ' ' ASN . 37.5 mm -67.95 140.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.51 111.176 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -74.42 163.44 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.859 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.51 HD11 ' HB ' ' A' ' 108' ' ' VAL . 21.1 mm -70.39 152.91 8.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 64.41 111.082 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 13.02 76.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 63.33 112.492 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.07 128.83 51.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 53.13 111.056 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.713 ' HA ' HG23 ' A' ' 104' ' ' ILE . 4.7 mt-10 -67.4 135.63 53.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 65.35 110.926 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.742 ' CG2' HD11 ' A' ' 60' ' ' LEU . 4.6 p -91.76 146.15 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 72.42 111.108 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 171.59 18.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.848 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -51.39 131.66 28.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.829 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.06 -8.83 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 50.43 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -93.53 96.46 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.757 0.313 . . . . 74.23 110.866 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.638 HD13 ' CB ' ' A' ' 94' ' ' SER . 4.8 mt -68.61 -31.42 70.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 63.34 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD13 HD11 ' A' ' 105' ' ' ILE . 34.2 mt 63.76 15.68 9.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.892 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' HB3' ' A' ' 95' ' ' LEU . 9.8 p -165.94 138.62 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.21 111.157 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -107.69 100.6 1.53 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 71.04 112.526 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.1 tptm -135.09 125.15 25.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 74.02 110.906 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 0.8 OUTLIER -157.37 129.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 72.21 111.203 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 159.0 30.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 75.31 111.095 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.776 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.4 Cg_endo -69.71 160.03 51.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 72.32 112.415 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -126.98 171.06 11.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 61.4 110.865 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.9 171.7 31.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.771 . . . . 62.55 112.489 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.3 t -89.79 -19.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 70.31 111.15 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 m -94.59 24.42 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.135 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -132.37 20.62 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 72.01 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD12 ' HG2' ' A' ' 76' ' ' GLU . 4.4 mm? -78.23 172.06 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 60.42 110.971 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.408 ' HG1' ' CD ' ' A' ' 76' ' ' GLU . 19.9 p -115.4 162.76 16.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.126 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.17 -27.4 67.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.11 111.073 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.41 -35.64 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.13 110.876 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' HG2' HD12 ' A' ' 72' ' ' LEU . 1.4 mp0 -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.912 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -66.19 -40.81 90.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 75.45 110.886 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 pp -84.08 -13.72 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.867 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.28 -7.49 52.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.856 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -55.63 -38.87 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 75.01 110.835 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.14 -19.95 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 71.02 111.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.4 mm -83.36 -59.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 73.32 111.09 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -77.94 -25.77 48.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.85 -20.12 51.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 34.15 112.452 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -170.22 147.07 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.913 0.387 . . . . 71.23 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -62.77 122.73 16.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 71.34 110.91 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.28 155.23 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 63.11 111.095 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -56.15 135.4 53.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -115.9 148.1 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.3 m -134.42 179.63 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 63.51 111.119 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -109.8 122.63 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 63.42 110.882 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.672 ' HA ' HG12 ' A' ' 64' ' ' VAL . 4.3 p-10 -73.21 96.66 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 53.42 110.917 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 20.2 p -110.66 33.17 4.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 51.14 111.179 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.638 ' CB ' HD13 ' A' ' 59' ' ' LEU . 68.8 m -72.41 170.1 14.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.827 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 97' ' ' VAL . 8.0 tt -75.17 148.56 39.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 71.33 110.869 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.58 125.92 45.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 63.41 110.828 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 95' ' ' LEU . 9.3 t -118.87 131.08 24.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.661 0.744 . . . . 52.15 111.096 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 165.85 29.64 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 54.31 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -64.93 122.7 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 63.35 110.787 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 84.3 -50.74 4.45 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 52.11 112.457 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 88.63 -34.49 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.764 -0.731 . . . . 63.32 112.532 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.78 -38.6 3.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.678 -0.773 . . . . 65.03 112.454 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.2 -159.47 9.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 75.45 112.539 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.713 HG23 ' HA ' ' A' ' 53' ' ' GLU . 8.7 mt -130.26 148.11 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 75.13 111.135 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.839 HD11 HD13 ' A' ' 60' ' ' LEU . 28.2 mm -64.81 102.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.196 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -105.12 -25.51 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.884 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -144.73 146.24 32.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.12 110.859 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' HB ' HD11 ' A' ' 50' ' ' ILE . 91.1 t -150.56 121.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 62.13 111.116 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.7 138.97 37.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.05 110.896 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.787 HG23 HG22 ' A' ' 127' ' ' VAL . 6.1 p -142.4 121.36 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 72.31 111.125 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -111.2 146.11 37.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 62.23 110.923 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -127.45 138.43 52.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -65.3 -32.96 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 54.43 110.84 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -62.26 -27.19 68.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 73.01 110.903 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.85 -18.38 60.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.22 20.64 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 55.14 112.474 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -90.01 124.25 34.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 73.13 110.856 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.3 134.28 45.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 62.43 110.874 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 126' ' ' LEU . 21.5 mt -131.28 159.04 73.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.679 0.752 . . . . 75.22 110.915 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.07 25.51 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.715 2.276 . . . . 75.1 112.372 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.91 6.78 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 74.12 112.37 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.93 -16.47 30.59 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.21 112.502 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 95.4 t -103.37 136.5 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 72.33 111.112 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.12 -32.6 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.881 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.35 166.36 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.954 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -139.95 133.0 29.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 62.41 110.922 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.787 HG22 HG23 ' A' ' 110' ' ' VAL . 66.1 t -147.32 131.24 9.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 54.52 111.106 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 43.1 mtt-85 -123.08 130.46 52.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.844 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 61.4 t -101.08 142.66 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 71.52 111.078 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -120.21 136.45 54.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.34 110.964 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.454 HG13 HD13 ' A' ' 105' ' ' ILE . 1.3 mp -131.88 133.09 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.34 111.127 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 10' ' ' ILE . 18.9 m -114.57 135.8 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.24 111.088 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.08 113.63 25.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.53 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -132.16 140.31 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.957 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -125.34 168.96 12.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.842 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -51.41 146.98 6.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.937 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.15 156.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 52.43 111.129 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 18.7 t -60.27 125.23 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 33.3 110.86 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.96 -45.02 87.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.874 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.68 11.05 17.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.477 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.308 . . . . 74.13 110.888 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.327 . . . . 63.21 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -140.09 152.09 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.161 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -89.68 159.0 17.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.893 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.8 p -120.07 -173.6 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 73.5 111.154 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.41 -173.09 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 74.54 110.931 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -73.86 157.46 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 55.43 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -121.64 159.32 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.883 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 132' ' ' VAL . 39.1 mm -124.07 119.3 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.52 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -85.36 159.57 19.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 55.02 110.874 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -142.27 111.72 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.35 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -111.22 146.49 36.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 61.54 110.883 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -116.08 149.38 39.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 63.43 110.882 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.92 116.93 1.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 61.11 110.862 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 123' ' ' VAL . 6.9 pt-20 -131.41 147.49 52.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 71.2 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -83.56 100.2 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 53.14 111.1 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.68 135.64 34.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.424 . . . . 74.51 110.89 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -67.08 135.78 54.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.892 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.8 t -83.87 167.76 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.02 111.159 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 6.08 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 74.45 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 1.12 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.911 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.11 78.46 1.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.641 -0.79 . . . . 52.15 112.465 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 172.01 13.48 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 61.03 112.293 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -140.1 -45.82 0.43 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 75.32 110.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.44 156.86 32.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.929 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.559 HD11 ' HG3' ' A' ' 63' ' ' LYS . 11.7 tt -75.23 146.32 9.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 75.14 111.075 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.722 HG23 HG23 ' A' ' 64' ' ' VAL . 10.1 t -151.89 179.85 8.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 53.03 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.82 124.44 42.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.872 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.562 ' N ' HG21 ' A' ' 64' ' ' VAL . 18.4 t70 -148.37 90.44 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.35 110.907 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG22 ' HB ' ' A' ' 34' ' ' VAL . 5.3 mm -110.48 81.79 2.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.548 0.69 . . . . 73.13 111.151 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 146.26 59.69 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.719 2.279 . . . . 74.13 112.315 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 63.7 33.85 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.22 110.968 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' HB ' HG22 ' A' ' 31' ' ' ILE . 8.1 p -100.74 154.77 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.158 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.36 138.99 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.517 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.9 -32.47 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 75.14 110.879 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.86 -33.85 72.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.52 110.831 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.32 -22.11 66.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 73.3 111.094 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.17 15.25 16.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.926 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -68.5 -31.5 70.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 63.04 110.888 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 48' ' ' ILE . 60.4 m-20 -103.53 -24.96 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -54.81 136.59 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 64.12 110.945 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -103.93 -169.94 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.881 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.65 -16.91 63.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.852 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -76.91 -22.0 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.509 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.17 -4.37 70.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 63.25 112.468 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 60' ' ' LEU . 64.2 t -109.45 141.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 74.45 111.101 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 41' ' ' ASN . 33.6 mm -68.07 137.51 24.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 74.51 111.115 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -68.7 160.78 29.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.834 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.31 149.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 64.41 111.138 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.26 9.58 67.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.746 . . . . 63.33 112.535 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.1 133.34 49.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 53.13 111.049 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.792 ' HA ' HG23 ' A' ' 104' ' ' ILE . 37.7 mt-10 -68.73 137.44 54.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 65.35 110.893 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG13 ' HA3' ' A' ' 101' ' ' GLY . 7.2 p -91.73 147.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 72.42 111.184 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -161.21 175.6 12.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.21 143.98 37.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.0 -0.29 88.72 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 50.43 112.462 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.06 99.14 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 74.23 110.84 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -75.11 -21.21 59.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 63.34 110.869 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 mt 63.08 16.65 9.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.931 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 HD23 ' A' ' 95' ' ' LEU . 7.7 p -157.31 137.28 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.21 111.173 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.7 100.72 1.73 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 71.04 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HG3' HD11 ' A' ' 27' ' ' ILE . 10.7 mttp -133.17 107.73 8.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 74.02 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.722 HG23 HG23 ' A' ' 28' ' ' THR . 2.4 m -147.8 160.36 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.09 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.18 157.27 73.09 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.31 111.118 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 142.27 47.49 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.692 2.261 . . . . 72.32 112.335 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -114.27 168.07 10.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 61.4 110.843 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.95 -161.61 10.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 62.55 112.493 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 m -91.27 12.24 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 70.31 111.179 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -68.65 -48.22 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.35 111.169 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -130.4 54.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.862 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tp -73.04 169.15 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 60.42 110.915 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 52.6 p -94.17 154.38 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 73.31 111.21 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.02 -36.03 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 64.11 111.076 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.15 -34.91 78.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.848 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' OE2' HD13 ' A' ' 79' ' ' LEU . 42.6 mm-40 -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.892 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.6 mmm-85 -51.93 -49.28 63.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.903 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.4 pp -84.15 -27.03 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 79' ' ' LEU . 8.0 tt -55.6 -26.31 43.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.944 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -66.3 -29.91 70.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.01 110.872 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.31 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 71.02 111.163 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.2 mt -72.73 -60.86 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 73.32 111.132 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.33 -25.94 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.31 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.46 19.63 57.98 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 34.15 112.554 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -142.7 153.16 43.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 71.23 110.973 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -76.56 132.87 39.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.934 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -122.43 162.91 20.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 63.11 111.075 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -92.33 148.12 22.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 72.01 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -114.28 160.32 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.941 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.404 HG11 ' HB3' ' A' ' 30' ' ' ASP . 17.4 t -144.46 154.84 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.51 111.134 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 10.6 ttm180 -122.68 133.87 54.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 63.42 110.856 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.645 ' HA ' HG12 ' A' ' 64' ' ' VAL . 7.6 p-10 -76.98 105.81 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 53.42 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.9 p -115.51 27.36 9.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 51.14 111.127 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.0 m -88.77 169.37 11.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD11 HG23 ' A' ' 97' ' ' VAL . 2.2 pp -76.76 150.78 36.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 71.33 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -97.11 122.35 40.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 63.41 110.922 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 95' ' ' LEU . 3.3 t -105.37 133.0 20.39 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.644 0.735 . . . . 52.15 111.173 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 161.87 44.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.622 2.215 . . . . 54.31 112.391 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -65.36 134.05 52.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 63.35 110.85 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.35 -50.37 4.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.636 -0.792 . . . . 52.11 112.398 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.533 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 88.32 -35.58 3.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 63.32 112.456 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.31 -38.93 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 65.03 112.43 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -133.18 -157.7 8.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 75.45 112.481 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HA ' ' A' ' 53' ' ' GLU . 61.9 mt -134.49 147.29 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 75.13 111.14 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 60' ' ' LEU . 30.2 mm -65.51 106.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.098 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -105.35 -23.79 12.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 70.15 110.849 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -154.98 157.49 37.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.7 t -150.28 133.97 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 62.13 111.12 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -113.74 132.89 55.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 73.05 110.857 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.6 p -136.37 122.9 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.125 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD2' HD12 ' A' ' 126' ' ' LEU . 10.5 m-85 -103.83 149.67 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.23 110.905 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.85 134.44 45.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -59.12 -31.44 68.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 54.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.58 -25.12 68.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.842 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.02 -19.03 60.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.829 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.13 19.5 8.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 55.14 112.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.15 119.85 32.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.309 . . . . 73.13 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -71.56 136.39 47.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.476 HD21 ' HB2' ' A' ' 126' ' ' LEU . 11.1 mt -127.38 158.7 68.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.731 . . . . 75.22 110.9 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.31 24.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.708 2.272 . . . . 75.1 112.418 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 127.27 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.649 2.233 . . . . 74.12 112.397 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 100.14 2.03 55.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 16' ' ' GLU . 88.8 t -117.17 143.23 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.82 0.343 . . . . 72.33 111.144 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -112.11 -36.79 5.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.878 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 166.65 24.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -143.0 128.89 19.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.962 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.592 ' N ' HD13 ' A' ' 126' ' ' LEU . 7.5 p -147.09 133.99 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 54.52 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -121.45 157.12 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 64.11 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.2 t -115.04 152.86 16.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 71.52 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.87 112.69 16.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.911 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.04 133.72 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.108 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.666 HG12 HD13 ' A' ' 10' ' ' ILE . 27.4 m -107.42 135.62 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 73.24 111.141 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.25 136.32 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.53 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -77.56 144.8 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 55.02 110.88 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -59.11 159.41 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.879 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -101.59 155.65 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 137' ' ' ILE . 1.2 pp -131.05 164.21 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 52.43 111.067 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 t -103.63 157.16 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 33.3 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -109.49 -45.53 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 73.41 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 94.68 11.14 57.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.723 . . . . 65.11 112.494 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 74.13 110.82 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 63.21 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -135.33 147.02 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 45.01 111.175 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -56.38 145.74 26.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 71.45 110.935 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -137.55 151.53 48.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 73.5 111.135 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.81 -173.97 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.54 110.835 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 133' ' ' GLN . 5.4 mp -98.09 128.02 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 55.43 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -104.77 159.11 16.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.721 ' CD1' HG12 ' A' ' 132' ' ' VAL . 34.8 mm -117.22 117.09 54.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 72.52 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 158.94 28.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 55.02 110.91 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.47 111.64 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.888 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -111.17 146.75 36.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 61.54 110.956 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.83 149.61 38.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 63.43 110.825 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.33 107.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 61.11 110.887 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HB2' HG13 ' A' ' 123' ' ' VAL . 8.9 pt-20 -131.99 135.31 46.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 71.2 110.964 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -74.33 97.46 3.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 53.14 111.115 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.1 mtm-85 -86.18 143.86 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.903 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -66.39 127.4 32.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.846 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' THR . 9.8 t -83.42 168.18 16.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.02 111.153 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.52 6.45 40.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.87 -6.44 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 62.04 110.874 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 77.43 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.741 -0.742 . . . . 52.15 112.473 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 162.47 42.0 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.706 2.27 . . . . 61.03 112.368 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -140.56 -42.01 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 75.32 110.869 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -163.74 157.05 18.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.911 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD12 ' HB2' ' A' ' 17' ' ' ALA . 8.3 tt -84.13 146.03 7.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 75.14 111.091 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.543 HG23 HG23 ' A' ' 64' ' ' VAL . 8.9 t -150.64 179.94 7.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 53.03 111.168 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.19 126.16 46.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.864 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' HG21 ' A' ' 64' ' ' VAL . 12.0 t70 -148.22 91.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 64.35 110.867 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 HG22 ' HB ' ' A' ' 34' ' ' VAL . 7.3 mm -110.58 81.76 2.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 73.13 111.146 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 147.32 62.31 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.694 2.263 . . . . 74.13 112.285 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 63.57 32.67 13.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG13 HD23 ' A' ' 39' ' ' LEU . 9.5 p -100.5 155.79 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.155 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.59 161.4 36.85 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.717 -0.754 . . . . 71.54 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -71.99 -27.18 62.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.823 0.345 . . . . 75.14 110.861 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.98 -37.61 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.841 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.56 -23.21 62.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 73.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 HG13 ' A' ' 34' ' ' VAL . 4.1 pp -112.15 15.16 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.949 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -73.1 -25.19 60.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 63.04 110.801 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB2' HG23 ' A' ' 48' ' ' ILE . 67.8 m-80 -108.66 -24.53 11.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.9 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 124.86 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.886 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -88.09 -172.67 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 54.04 110.908 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.27 -19.38 65.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.829 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -76.65 -21.8 54.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.22 21.22 25.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 63.25 112.454 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.28 134.06 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 74.45 111.072 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.565 HG23 ' HB2' ' A' ' 41' ' ' ASN . 38.2 mm -68.05 133.97 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.51 111.148 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -62.05 164.01 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.21 153.01 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 64.41 111.11 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.34 13.72 75.84 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.746 -0.74 . . . . 63.33 112.48 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.12 127.19 51.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 53.13 111.113 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.778 ' HA ' HG23 ' A' ' 104' ' ' ILE . 23.3 tt0 -66.99 145.57 55.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 65.35 110.881 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.642 ' CG2' HG11 ' A' ' 97' ' ' VAL . 12.0 p -91.59 149.3 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.171 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -132.27 176.02 8.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.872 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -73.15 138.89 46.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.866 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.53 3.28 86.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.692 -0.766 . . . . 50.43 112.508 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.15 154.95 38.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.822 0.344 . . . . 74.23 110.861 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.2 mm? -111.25 -51.36 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 105' ' ' ILE . 9.7 mt 67.53 8.84 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.915 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -153.91 126.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 71.21 111.094 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.55 99.8 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 71.04 112.52 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -140.67 102.71 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 74.02 110.884 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 92' ' ' ASP . 1.9 m -137.92 131.24 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.117 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -100.94 159.08 30.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.57 0.7 . . . . 75.31 111.089 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.687 ' HA ' HG12 ' A' ' 90' ' ' VAL . 54.0 Cg_endo -69.79 155.71 65.14 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.62 2.213 . . . . 72.32 112.367 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -114.2 175.13 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.953 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.6 157.21 31.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.747 -0.74 . . . . 62.55 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 p -80.31 -29.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 70.31 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.7 m -80.82 -30.13 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.142 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -57.23 -25.86 59.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.01 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD11 ' CD ' ' A' ' 89' ' ' GLU . 4.1 mm? -52.14 166.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 60.42 110.962 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.9 p -120.0 170.09 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 73.31 111.084 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.46 73.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.067 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.35 -34.96 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.912 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -74.85 -30.13 61.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 72.21 110.86 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -63.54 -48.98 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 75.45 110.865 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 pp -72.06 -25.44 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.882 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 79' ' ' LEU . 9.6 tt -56.41 -24.96 48.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.891 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -55.38 -28.6 55.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 75.01 110.834 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.02 -26.07 59.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.02 111.102 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.403 HD12 ' HG ' ' A' ' 79' ' ' LEU . 21.1 mt -74.37 -60.96 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 73.32 111.144 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -75.05 -26.0 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.844 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.5 38.93 93.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 34.15 112.435 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -174.83 146.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 71.23 110.85 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -74.58 134.02 42.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.34 110.922 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -132.63 144.52 50.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 63.11 111.095 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -82.74 146.4 29.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.01 110.915 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' CD ' HD11 ' A' ' 72' ' ' LEU . 37.6 mp0 -116.7 138.51 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.926 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.8 m -131.84 174.41 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 63.51 111.18 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -111.2 133.61 53.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.878 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.744 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -82.85 99.55 9.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 53.42 110.897 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.509 HG23 ' HD3' ' A' ' 63' ' ' LYS . 9.3 t -111.32 24.3 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 51.14 111.164 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.2 m -66.94 170.56 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.808 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.2 pp -74.6 151.1 39.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 71.33 110.897 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -96.76 144.58 26.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.826 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.642 HG11 ' CG2' ' A' ' 54' ' ' VAL . 78.1 t -124.11 128.48 25.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.597 0.713 . . . . 52.15 111.162 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 149.55 67.44 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.736 2.291 . . . . 54.31 112.337 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -51.66 130.82 29.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 63.35 110.865 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 54' ' ' VAL . . . 82.5 -51.93 4.59 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.693 -0.765 . . . . 52.11 112.505 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.442 ' HA3' HG11 ' A' ' 54' ' ' VAL . . . 85.67 -34.78 3.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 63.32 112.487 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.52 -38.74 2.98 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.793 -0.718 . . . . 65.03 112.52 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -133.85 -159.29 8.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 75.45 112.517 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.778 HG23 ' HA ' ' A' ' 53' ' ' GLU . 54.7 mt -131.93 150.36 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 75.13 111.104 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.701 HD11 HD13 ' A' ' 60' ' ' LEU . 25.9 mm -64.19 98.78 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 72.41 111.198 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.02 -26.62 12.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 70.15 110.906 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.92 149.27 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.853 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -150.38 118.57 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.13 111.149 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.26 135.06 44.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 73.05 110.87 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.903 HG23 HG22 ' A' ' 127' ' ' VAL . 5.9 p -140.27 121.03 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.31 111.18 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -108.09 144.77 35.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 62.23 110.872 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -132.05 138.49 48.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.898 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.4 ttt85 -56.41 -27.88 57.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 54.43 110.848 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -67.56 -25.05 65.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -73.85 -22.51 59.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.1 21.96 7.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 55.14 112.496 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -96.02 133.88 39.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.727 0.298 . . . . 73.13 110.881 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -81.31 136.22 35.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.43 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 126' ' ' LEU . 14.9 mt -126.98 157.87 70.57 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 75.22 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.88 167.72 23.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 75.1 112.351 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.63 8.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.252 . . . . 74.12 112.373 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.56 -19.45 28.73 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.759 -0.734 . . . . 64.21 112.494 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 16' ' ' GLU . 91.7 t -98.53 144.39 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.77 0.319 . . . . 72.33 111.134 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -113.8 -28.44 7.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.92 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -150.48 159.24 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 127' ' ' VAL . 1.6 tm? -134.3 132.67 39.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 62.41 110.983 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 110' ' ' VAL . 54.9 t -146.89 132.18 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 54.52 111.163 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.96 133.01 49.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 64.11 110.932 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.401 ' CG1' HD12 ' A' ' 105' ' ' ILE . 13.3 t -96.06 153.7 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.137 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -127.05 112.97 15.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 64.34 110.854 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.8 mp -116.48 120.62 65.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 75.34 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 10' ' ' ILE . 26.6 m -99.38 134.05 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.24 111.144 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -80.73 120.01 24.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.99 156.29 15.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 55.02 110.901 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.28 151.24 41.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.21 110.897 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -51.81 147.29 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.854 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.432 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.34 164.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 52.43 111.168 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.7 t -79.6 117.49 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 33.3 110.881 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.07 179.54 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 104.66 -22.8 33.03 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.664 -0.779 . . . . 65.11 112.414 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 74.13 110.875 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.926 0.393 . . . . 63.21 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.1 144.03 32.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 45.01 111.143 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -132.25 128.43 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 71.45 110.885 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 p -58.02 172.77 0.39 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 73.5 111.166 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -173.15 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.859 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.5 mm -76.8 156.76 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 55.43 111.119 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -128.57 159.49 35.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.895 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.683 HG12 HG12 ' A' ' 132' ' ' VAL . 80.6 mt -134.8 143.31 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 72.52 111.162 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -85.92 169.16 13.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 55.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -141.53 111.72 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 75.35 110.904 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -113.79 141.44 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 61.54 110.937 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -116.39 149.14 39.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.505 ' OG ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -162.95 113.07 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.924 -179.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -129.34 140.79 51.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.2 110.903 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.884 ' HB2' HD12 ' A' ' 27' ' ' ILE . . . -75.54 100.76 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 53.14 111.115 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -82.84 144.53 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -76.99 133.56 39.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.857 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.4 t -83.97 168.82 15.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 72.02 111.114 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 6.27 40.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 74.45 110.91 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' ' 20' ' ' THR . 0.2 OUTLIER -101.88 2.17 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 62.04 110.93 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.18 78.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 52.15 112.457 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.7 169.0 19.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.797 2.331 . . . . 61.03 112.323 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -136.82 -41.44 0.6 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.886 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -166.96 154.8 9.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.884 HD12 ' HB2' ' A' ' 17' ' ' ALA . 11.0 tt -74.96 146.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.14 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.74 HG23 HG23 ' A' ' 64' ' ' VAL . 11.6 t -145.0 178.26 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 53.03 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.86 123.05 40.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.13 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' HB3' HG21 ' A' ' 64' ' ' VAL . 9.5 t70 -146.37 87.73 1.74 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 64.35 110.855 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG22 ' HB ' ' A' ' 34' ' ' VAL . 9.0 mm -112.65 84.48 6.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.64 0.733 . . . . 73.13 111.077 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.88 166.38 27.93 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.255 . . . . 74.13 112.223 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 p30 41.24 39.15 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.22 110.878 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' HB ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -101.56 157.13 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 74.44 111.103 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.6 138.95 23.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 71.54 112.464 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -57.64 -33.01 67.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 75.14 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.13 -33.68 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.52 110.852 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.9 -21.56 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.085 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 pp -115.58 15.19 16.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -72.94 -25.07 60.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 63.04 110.816 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.625 ' HB2' HG23 ' A' ' 48' ' ' ILE . 64.4 m-20 -105.55 -26.42 11.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.939 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -53.19 131.6 37.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.877 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -102.18 -170.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 54.04 110.817 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.04 -16.78 61.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.913 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -77.06 -21.53 54.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.888 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 94.02 -6.68 72.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.756 -0.735 . . . . 63.25 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.6 p -107.88 143.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 74.45 111.203 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.762 HG13 HD23 ' A' ' 60' ' ' LEU . 35.9 mm -68.14 135.63 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.51 111.142 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -68.98 163.01 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.88 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 23.9 mm -69.06 152.22 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.2 67.55 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.679 -0.772 . . . . 63.33 112.504 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.96 131.98 49.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.716 0.293 . . . . 53.13 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.764 ' HA ' HG23 ' A' ' 104' ' ' ILE . 53.3 mt-10 -71.05 139.45 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.817 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA3' ' A' ' 101' ' ' GLY . 5.7 p -91.81 144.78 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 72.42 111.155 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -161.17 176.2 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.89 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -60.44 141.5 56.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.91 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.37 -5.98 78.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 50.43 112.438 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -105.09 93.25 4.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.826 0.346 . . . . 74.23 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.604 ' O ' HD11 ' A' ' 95' ' ' LEU . 4.4 mt -68.11 -32.89 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 63.34 110.978 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.762 HD23 HG13 ' A' ' 48' ' ' ILE . 6.8 mt 65.18 13.85 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.874 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 95' ' ' LEU . 74.6 t -151.41 128.11 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 71.21 111.111 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.22 102.33 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 71.04 112.517 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -136.89 103.71 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 74.02 110.844 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.74 HG23 HG23 ' A' ' 28' ' ' THR . 2.5 m -143.48 129.82 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.13 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.54 159.25 29.93 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 75.31 111.125 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.719 ' HA ' HG12 ' A' ' 90' ' ' VAL . 53.9 Cg_endo -69.79 155.66 65.27 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 72.32 112.352 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -114.29 174.86 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.95 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -84.47 171.28 47.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 62.55 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.7 m -85.96 -27.52 6.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.87 0.367 . . . . 70.31 111.073 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.85 16.52 14.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.35 111.094 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -94.78 -30.95 13.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.837 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.64 167.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.881 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.0 p -117.85 168.98 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.194 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.13 -27.71 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 64.11 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.06 -34.95 79.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.888 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.73 -30.54 65.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -56.93 -48.88 77.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.45 110.92 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 79' ' ' LEU . 4.6 pp -79.46 -27.0 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 72.43 110.924 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 78' ' ' LEU . 13.8 tp -58.37 -24.71 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.991 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.77 -46.93 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 75.01 110.875 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.35 -24.71 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.02 111.121 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.6 mm -70.36 -56.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.32 111.06 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.85 -25.99 59.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.894 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.48 37.17 58.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.705 -0.759 . . . . 34.15 112.491 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -175.62 160.81 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 71.23 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -87.82 134.8 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.946 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -130.02 140.64 50.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 63.11 111.087 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -82.71 149.55 27.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -116.91 130.1 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 74.52 110.858 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.719 HG12 ' HA ' ' A' ' 66' ' ' PRO . 4.4 m -134.88 178.24 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 63.51 111.172 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -110.11 133.69 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 63.42 110.816 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.724 ' HA ' HG12 ' A' ' 64' ' ' VAL . 5.1 p-10 -83.64 96.92 8.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 53.42 110.861 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.1 p -101.52 22.22 13.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 51.14 111.155 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 59' ' ' LEU . 67.3 m -75.3 169.36 18.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.838 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 59' ' ' LEU . 4.4 pp -81.51 150.04 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.858 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -97.54 114.81 26.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.837 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.92 135.16 32.21 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.73 . . . . 52.15 111.089 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.3 53.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.63 2.22 . . . . 54.31 112.346 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -65.45 130.26 42.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.35 110.877 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.76 -50.58 4.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 52.11 112.542 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.491 ' HA3' HG13 ' A' ' 54' ' ' VAL . . . 87.95 -35.25 3.56 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.667 -0.778 . . . . 63.32 112.499 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.22 -38.09 3.26 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.765 -0.731 . . . . 65.03 112.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 54' ' ' VAL . . . -132.81 -157.85 8.64 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 75.45 112.521 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' HA ' ' A' ' 53' ' ' GLU . 58.6 mt -133.92 147.43 30.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 75.13 111.141 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 60' ' ' LEU . 29.0 mm -65.5 102.67 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 72.41 111.11 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -105.19 -21.76 13.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 70.15 110.862 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.95 149.02 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.823 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.2 t -150.35 121.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 62.13 111.167 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -101.04 130.95 47.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.876 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 110' ' ' VAL . 7.2 p -135.54 123.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 72.31 111.147 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -108.53 147.48 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 62.23 110.859 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -131.82 135.26 46.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 74.51 110.948 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -60.67 -36.85 79.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.43 110.858 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.0 -26.23 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.01 110.848 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -74.0 -20.48 60.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.16 21.74 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 55.14 112.414 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.31 127.22 37.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 73.13 110.888 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -74.83 142.01 44.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.804 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 123' ' ' VAL . 4.8 mp -138.29 160.16 65.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 75.22 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.39 24.56 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 75.1 112.352 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 125.63 12.33 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 74.12 112.26 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.87 3.31 52.17 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.754 -0.736 . . . . 64.21 112.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 119' ' ' LEU . 58.1 t -119.97 145.39 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.33 111.12 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -114.66 -32.65 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.878 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -146.22 167.23 24.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.885 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 127' ' ' VAL . 2.2 tm? -144.29 132.45 21.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.95 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.664 ' N ' HD13 ' A' ' 126' ' ' LEU . 5.8 p -147.13 140.62 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 54.52 111.157 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -130.99 156.74 44.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.94 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.465 ' CG1' HD12 ' A' ' 105' ' ' ILE . 18.6 t -117.57 151.45 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.406 . . . . 71.52 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -128.14 114.36 16.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.155 -0.475 . . . . 64.34 110.946 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 105' ' ' ILE . 2.6 mp -119.88 119.6 60.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 75.34 111.139 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.683 HG12 HG12 ' A' ' 10' ' ' ILE . 19.2 m -86.21 122.43 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 73.24 111.078 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.09 129.12 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.53 110.934 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.2 145.9 24.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 55.02 110.885 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -62.45 142.6 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -51.92 146.13 8.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 75.34 110.856 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.433 ' C ' HD12 ' A' ' 137' ' ' ILE . 2.9 pp -51.45 155.2 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 52.43 111.114 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 t -63.97 132.46 50.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 33.3 110.882 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -85.81 -54.85 4.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.883 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 98.5 11.05 49.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 65.11 112.487 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 74.13 110.928 179.986 . . . . . . . . 0 0 . 1 stop_ save_